Azepanes
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Azepanes
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1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Thermo Scientific Chemicals
CAS: 6674-22-2 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1
PubChem CID | 81184 |
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CAS | 6674-22-2 |
MDL Number | MFCD00006930 |
SMILES | C1CCC2=NCCCN2CC1 |
Synonym | 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene |
IUPAC Name | 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine |
InChI Key | GQHTUMJGOHRCHB-UHFFFAOYSA-N |
1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Thermo Scientific Chemicals
CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1
PubChem CID | 81184 |
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CAS | 6674-22-2 |
Molecular Weight (g/mol) | 152.241 |
MDL Number | MFCD00006930 |
SMILES | C1CCC2=NCCCN2CC1 |
Synonym | 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene |
IUPAC Name | 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine |
InChI Key | GQHTUMJGOHRCHB-UHFFFAOYSA-N |
Molecular Formula | C9H16N2 |
Hexamethyleneimine, 99%, Thermo Scientific Chemicals
CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.17 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1
PubChem CID | 8119 |
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CAS | 111-49-9 |
Molecular Weight (g/mol) | 99.17 |
ChEBI | CHEBI:32616 |
MDL Number | MFCD00006934 |
SMILES | C1CCCNCC1 |
Synonym | hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine |
IUPAC Name | azepane |
InChI Key | ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
Molecular Formula | C6H13N |
N-BOC-Hexahydro-1H-azepin-4-one, 97%, Thermo Scientific Chemicals
CAS: 188975-88-4 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.28 MDL Number: MFCD03788435 InChI Key: PMLBUVZPRKXMOX-UHFFFAOYSA-N Synonym: n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 IUPAC Name: tert-butyl 4-oxoazepane-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1
PubChem CID | 1512679 |
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CAS | 188975-88-4 |
Molecular Weight (g/mol) | 213.28 |
MDL Number | MFCD03788435 |
SMILES | CC(C)(C)OC(=O)N1CCCC(=O)CC1 |
Synonym | n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate |
IUPAC Name | tert-butyl 4-oxoazepane-1-carboxylate |
InChI Key | PMLBUVZPRKXMOX-UHFFFAOYSA-N |
Molecular Formula | C11H19NO3 |
Hexamethyleneimine, 98+%, Thermo Scientific Chemicals
CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.177 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1
PubChem CID | 8119 |
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CAS | 111-49-9 |
Molecular Weight (g/mol) | 99.177 |
ChEBI | CHEBI:32616 |
MDL Number | MFCD00006934 |
SMILES | C1CCCNCC1 |
Synonym | hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine |
IUPAC Name | azepane |
InChI Key | ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
Molecular Formula | C6H13N |
N-(2-Hydroxyethyl)hexamethyleneimine, 95%, Thermo Scientific Chemicals
CAS: 20603-00-3 Molecular Formula: C8H17NO Molecular Weight (g/mol): 143.23 MDL Number: MFCD00020988 InChI Key: VMRYMOMQCYSPHS-UHFFFAOYSA-N Synonym: 2-azepan-1-yl ethanol,hexahydro-1h-azepine-1-ethanol,n-2-hydroxyethyl hexamethyleneimine,2-azepan-1-yl ethan-1-ol,2-hexamethyleneimino ethanol,2-azaperhydroepinylethan-1-ol,2-azepan-1-ylethan-1-ol,2-azepan-1-yl ;ethanol,2-n-hexamethyleneimino ethanol,1-2-hydroxyethyl homopiperidine PubChem CID: 88615 IUPAC Name: 2-(azepan-1-yl)ethanol SMILES: C1CCCN(CC1)CCO
PubChem CID | 88615 |
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CAS | 20603-00-3 |
Molecular Weight (g/mol) | 143.23 |
MDL Number | MFCD00020988 |
SMILES | C1CCCN(CC1)CCO |
Synonym | 2-azepan-1-yl ethanol,hexahydro-1h-azepine-1-ethanol,n-2-hydroxyethyl hexamethyleneimine,2-azepan-1-yl ethan-1-ol,2-hexamethyleneimino ethanol,2-azaperhydroepinylethan-1-ol,2-azepan-1-ylethan-1-ol,2-azepan-1-yl ;ethanol,2-n-hexamethyleneimino ethanol,1-2-hydroxyethyl homopiperidine |
IUPAC Name | 2-(azepan-1-yl)ethanol |
InChI Key | VMRYMOMQCYSPHS-UHFFFAOYSA-N |
Molecular Formula | C8H17NO |
N-Boc-hexahydro-1H-azepin-4-one, 98%, Thermo Scientific Chemicals
CAS: 188975-88-4 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.28 MDL Number: MFCD03788435 InChI Key: PMLBUVZPRKXMOX-UHFFFAOYSA-N Synonym: n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 IUPAC Name: tert-butyl 4-oxoazepane-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1
PubChem CID | 1512679 |
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CAS | 188975-88-4 |
Molecular Weight (g/mol) | 213.28 |
MDL Number | MFCD03788435 |
SMILES | CC(C)(C)OC(=O)N1CCCC(=O)CC1 |
Synonym | n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate |
IUPAC Name | tert-butyl 4-oxoazepane-1-carboxylate |
InChI Key | PMLBUVZPRKXMOX-UHFFFAOYSA-N |
Molecular Formula | C11H19NO3 |
Azelastine hydrochloride, Thermo Scientific Chemicals
CAS: 79307-93-0 Molecular Formula: C22H25Cl2N3O Molecular Weight (g/mol): 418.36 MDL Number: MFCD00242783 InChI Key: YEJAJYAHJQIWNU-UHFFFAOYNA-N IUPAC Name: hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride SMILES: [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
CAS | 79307-93-0 |
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Molecular Weight (g/mol) | 418.36 |
MDL Number | MFCD00242783 |
SMILES | [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O |
IUPAC Name | hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride |
InChI Key | YEJAJYAHJQIWNU-UHFFFAOYNA-N |
Molecular Formula | C22H25Cl2N3O |
3-(1-Azepanyl)-2,2-dimethylpropylamine, ≥95%, Thermo Scientific™
CAS: 845885-85-0 Molecular Formula: C11H24N2 Molecular Weight (g/mol): 184.327 MDL Number: MFCD06200874 InChI Key: SUDFIJJDSKVMSO-UHFFFAOYSA-N Synonym: 3-azepan-1-yl-2,2-dimethylpropan-1-amine,3-1-azepanyl-2,2-dimethylpropylamine,3-azepan-1-yl-2,2-dimethyl-propylamine,1h-azepine-1-propanamine,hexahydro-b,b-dimethyl,3-azaperhydroepinyl-2,2-dimethylpropylamine PubChem CID: 2794705 IUPAC Name: 3-(azepan-1-yl)-2,2-dimethylpropan-1-amine SMILES: CC(C)(CN)CN1CCCCCC1
PubChem CID | 2794705 |
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CAS | 845885-85-0 |
Molecular Weight (g/mol) | 184.327 |
MDL Number | MFCD06200874 |
SMILES | CC(C)(CN)CN1CCCCCC1 |
Synonym | 3-azepan-1-yl-2,2-dimethylpropan-1-amine,3-1-azepanyl-2,2-dimethylpropylamine,3-azepan-1-yl-2,2-dimethyl-propylamine,1h-azepine-1-propanamine,hexahydro-b,b-dimethyl,3-azaperhydroepinyl-2,2-dimethylpropylamine |
IUPAC Name | 3-(azepan-1-yl)-2,2-dimethylpropan-1-amine |
InChI Key | SUDFIJJDSKVMSO-UHFFFAOYSA-N |
Molecular Formula | C11H24N2 |
8-Oxa-3-azabicyclo[3.2.1]octane hydrochloride, 97%, Thermo Scientific Chemicals
CAS: 54745-74-3 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.62 MDL Number: MFCD17926456,MFCD09800611 InChI Key: XADOTNAXKKFKDY-UHFFFAOYNA-N Synonym: 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl PubChem CID: 21983536 SMILES: Cl.C1CC2CNCC1O2
PubChem CID | 21983536 |
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CAS | 54745-74-3 |
Molecular Weight (g/mol) | 149.62 |
MDL Number | MFCD17926456,MFCD09800611 |
SMILES | Cl.C1CC2CNCC1O2 |
Synonym | 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl |
InChI Key | XADOTNAXKKFKDY-UHFFFAOYNA-N |
Molecular Formula | C6H12ClNO |
2-(Hexamethyleneimino)ethyl chloride hydrochloride, 98%, Thermo Scientific Chemicals
CAS: 26487-67-2 Molecular Formula: C8H17Cl2N Molecular Weight (g/mol): 198.131 MDL Number: MFCD00012842 InChI Key: ZQDSOUPBYJIPNM-UHFFFAOYSA-N Synonym: 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh PubChem CID: 24188283 IUPAC Name: 1-(2-chloroethyl)azepane;hydrochloride SMILES: C1CCCN(CC1)CCCl.Cl
PubChem CID | 24188283 |
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CAS | 26487-67-2 |
Molecular Weight (g/mol) | 198.131 |
MDL Number | MFCD00012842 |
SMILES | C1CCCN(CC1)CCCl.Cl |
Synonym | 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh |
IUPAC Name | 1-(2-chloroethyl)azepane;hydrochloride |
InChI Key | ZQDSOUPBYJIPNM-UHFFFAOYSA-N |
Molecular Formula | C8H17Cl2N |
AK 7, Tocris Bioscience™
CAS: 420831-40-9 Molecular Formula: C19H21BrN2O3S Molecular Weight (g/mol): 437.35 MDL Number: MFCD03140195 InChI Key: IYAYHZZWYNXHEQ-UHFFFAOYSA-N Synonym: ak-7,3-azepan-1-ylsulfonyl-n-3-bromophenyl benzamide,ak 7,3-azepane-1-sulfonyl-n-3-bromophenyl benzamide,3-1-azepanylsulfonyl-n-3-bromophenyl benzamide,sirt2 inhibitor, ak-7,sirt2 inhibitor ii ak-7,benzamide, n-3-bromophenyl-3-hexahydro-1h-azepin-1-yl sulfonyl,ak hplc,n-3-bromophenyl-3-hexahydro-1h-azepin-1-yl sulfonyl benzamide PubChem CID: 1328033 IUPAC Name: 3-(azepane-1-sulfonyl)-N-(3-bromophenyl)benzamide SMILES: BrC1=CC=CC(NC(=O)C2=CC(=CC=C2)S(=O)(=O)N2CCCCCC2)=C1
PubChem CID | 1328033 |
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CAS | 420831-40-9 |
Molecular Weight (g/mol) | 437.35 |
MDL Number | MFCD03140195 |
SMILES | BrC1=CC=CC(NC(=O)C2=CC(=CC=C2)S(=O)(=O)N2CCCCCC2)=C1 |
Synonym | ak-7,3-azepan-1-ylsulfonyl-n-3-bromophenyl benzamide,ak 7,3-azepane-1-sulfonyl-n-3-bromophenyl benzamide,3-1-azepanylsulfonyl-n-3-bromophenyl benzamide,sirt2 inhibitor, ak-7,sirt2 inhibitor ii ak-7,benzamide, n-3-bromophenyl-3-hexahydro-1h-azepin-1-yl sulfonyl,ak hplc,n-3-bromophenyl-3-hexahydro-1h-azepin-1-yl sulfonyl benzamide |
IUPAC Name | 3-(azepane-1-sulfonyl)-N-(3-bromophenyl)benzamide |
InChI Key | IYAYHZZWYNXHEQ-UHFFFAOYSA-N |
Molecular Formula | C19H21BrN2O3S |
1-(4-Nitrophenyl)azepane, 97%, Thermo Scientific™
CAS: 13663-23-5 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD00156364 InChI Key: WXAAQKMTSQDMII-UHFFFAOYSA-N Synonym: 1-4-nitrophenyl azepane,1h-azepine, hexahydro-1-4-nitrophenyl,1-4-nitro-phenyl-azepane,n-4'-nitrophenyl hexamethylenimine,hexahydro-1-4-nitrophenyl-1h-azepine,4-nitrophenyl azaperhydroepine,1-4-nitrophenyl-perhydroazepin,1-4-nitrophenyl hexahydro-1h-azepine PubChem CID: 83639 IUPAC Name: 1-(4-nitrophenyl)azepane SMILES: C1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
PubChem CID | 83639 |
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CAS | 13663-23-5 |
Molecular Weight (g/mol) | 220.272 |
MDL Number | MFCD00156364 |
SMILES | C1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
Synonym | 1-4-nitrophenyl azepane,1h-azepine, hexahydro-1-4-nitrophenyl,1-4-nitro-phenyl-azepane,n-4'-nitrophenyl hexamethylenimine,hexahydro-1-4-nitrophenyl-1h-azepine,4-nitrophenyl azaperhydroepine,1-4-nitrophenyl-perhydroazepin,1-4-nitrophenyl hexahydro-1h-azepine |
IUPAC Name | 1-(4-nitrophenyl)azepane |
InChI Key | WXAAQKMTSQDMII-UHFFFAOYSA-N |
Molecular Formula | C12H16N2O2 |
1-(2-Fluoro-4-nitrophenyl)azepane, 97%, Thermo Scientific™
CAS: 250371-80-3 Molecular Formula: C12H15FN2O2 Molecular Weight (g/mol): 238.262 InChI Key: LJVYPBVHNCEVFI-UHFFFAOYSA-N Synonym: 1-2-fluoro-4-nitrophenyl azepane PubChem CID: 2872204 IUPAC Name: 1-(2-fluoro-4-nitrophenyl)azepane SMILES: C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F
PubChem CID | 2872204 |
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CAS | 250371-80-3 |
Molecular Weight (g/mol) | 238.262 |
SMILES | C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F |
Synonym | 1-2-fluoro-4-nitrophenyl azepane |
IUPAC Name | 1-(2-fluoro-4-nitrophenyl)azepane |
InChI Key | LJVYPBVHNCEVFI-UHFFFAOYSA-N |
Molecular Formula | C12H15FN2O2 |