Azepane

Azepane

Organische heterozyklische Verbindungen, die aus einem siebengliedrigen Ring bestehen, der aus sechs Kohlenstoffatomen, einem Stickstoffatom und dreizehn Wasserstoffatomen besteht; diese Verbindungen sind zyklische sekundäre Amine.
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1 – 14 von 14 Ergebnisse
1

3-(1-azepanyl)-2,2-Dimethylpropylamin, ≥95 %, Thermo Scientific™

CAS: 845885-85-0 Summenformel: C11H24N2 Molekulargewicht (g/mol): 184.327 MDL-Nummer: MFCD06200874 InChI-Schlüssel: 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-amin SMILES: CC(C)(CN)CN1CCCCCC1

InChI-Schlüssel SUDFIJJDSKVMSO-UHFFFAOYSA-N
IUPAC-Name 3-(Azepan-1-yl)-2,2-dimethylpropan-1-amin
PubChem CID 2794705
CAS 845885-85-0
MDL-Nummer MFCD06200874
Molekulargewicht (g/mol) 184.327
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
Summenformel C11H24N2
2

1,8-Diazabicyclo[5.4.0]undec-7-en, +98 %, Thermo Scientific Chemicals

CAS: 6674-22-2 MDL-Nummer: MFCD00006930 InChI-Schlüssel: 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]azepin SMILES: C1CCC2=NCCCN2CC1

InChI-Schlüssel GQHTUMJGOHRCHB-UHFFFAOYSA-N
IUPAC-Name 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepin
PubChem CID 81184
CAS 6674-22-2
MDL-Nummer 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
3

8-Oxa-3-azabicyclo-[3.2.1]-octan Hydrochlorid, 97 %, Thermo Scientific Chemicals

CAS: 54745-74-3 Summenformel: C6H12ClNO Molekulargewicht (g/mol): 149.62 MDL-Nummer: MFCD17926456,MFCD09800611 InChI-Schlüssel: 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

InChI-Schlüssel XADOTNAXKKFKDY-UHFFFAOYNA-N
PubChem CID 21983536
CAS 54745-74-3
MDL-Nummer MFCD17926456,MFCD09800611
Molekulargewicht (g/mol) 149.62
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
Summenformel C6H12ClNO
4

Hexamethylenimin, 99 %, Thermo Scientific Chemicals

CAS: 111-49-9 Summenformel: C6H13N Molekulargewicht (g/mol): 99.17 MDL-Nummer: MFCD00006934 InChI-Schlüssel: 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: Azepan SMILES: C1CCCNCC1

InChI-Schlüssel ZSIQJIWKELUFRJ-UHFFFAOYSA-N
IUPAC-Name Azepan
PubChem CID 8119
CAS 111-49-9
ChEBI CHEBI:32616
MDL-Nummer MFCD00006934
Molekulargewicht (g/mol) 99.17
SMILES C1CCCNCC1
Synonym hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine
Summenformel C6H13N
5

1,8-Diazabicyclo-[5.4.0]-undec-7-en, 99 %, Thermo Scientific Chemicals

CAS: 6674-22-2 Summenformel: C9H16N2 Molekulargewicht (g/mol): 152.241 MDL-Nummer: MFCD00006930 InChI-Schlüssel: 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]azepin SMILES: C1CCC2=NCCCN2CC1

InChI-Schlüssel GQHTUMJGOHRCHB-UHFFFAOYSA-N
IUPAC-Name 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepin
PubChem CID 81184
CAS 6674-22-2
MDL-Nummer MFCD00006930
Molekulargewicht (g/mol) 152.241
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
Summenformel C9H16N2
6

N-(2-Hydroxyethyl)-hexamethylenimin, 95 %, Thermo Scientific Chemicals

CAS: 20603-00-3 Summenformel: C8H17NO Molekulargewicht (g/mol): 143.23 MDL-Nummer: MFCD00020988 InChI-Schlüssel: VMRYMOMQCYSPHS-UHFFFAOYSA-N PubChem CID: 88615 IUPAC-Name: 2-(Azepan-1-yl)ethanol SMILES: C1CCCN(CC1)CCO

InChI-Schlüssel VMRYMOMQCYSPHS-UHFFFAOYSA-N
IUPAC-Name 2-(Azepan-1-yl)ethanol
PubChem CID 88615
CAS 20603-00-3
MDL-Nummer MFCD00020988
Molekulargewicht (g/mol) 143.23
SMILES C1CCCN(CC1)CCO
Summenformel C8H17NO
7

N-BOC-Hexahydro-1H-azepin-4-on, 97 %, Thermo Scientific Chemicals

CAS: 188975-88-4 Summenformel: C11H19NO3 Molekulargewicht (g/mol): 213.28 MDL-Nummer: MFCD03788435 InChI-Schlüssel: 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-Oxoazepan-1-Carboxylat SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1

InChI-Schlüssel PMLBUVZPRKXMOX-UHFFFAOYSA-N
IUPAC-Name Tert-Butyl 4-Oxoazepan-1-Carboxylat
PubChem CID 1512679
CAS 188975-88-4
MDL-Nummer MFCD03788435
Molekulargewicht (g/mol) 213.28
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
Summenformel C11H19NO3
8

Hexamethylenimin, ≥ 98 %, Thermo Scientific Chemicals

CAS: 111-49-9 Summenformel: C6H13N Molekulargewicht (g/mol): 99.177 MDL-Nummer: MFCD00006934 InChI-Schlüssel: 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: Azepan SMILES: C1CCCNCC1

InChI-Schlüssel ZSIQJIWKELUFRJ-UHFFFAOYSA-N
IUPAC-Name Azepan
PubChem CID 8119
CAS 111-49-9
ChEBI CHEBI:32616
MDL-Nummer MFCD00006934
Molekulargewicht (g/mol) 99.177
SMILES C1CCCNCC1
Synonym hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine
Summenformel C6H13N
9

2-(Hexamethylenimino)-ethylchlorid Hydrochlorid, 98 %, Thermo Scientific Chemicals

CAS: 26487-67-2 Summenformel: C8H17Cl2N Molekulargewicht (g/mol): 198.131 MDL-Nummer: MFCD00012842 InChI-Schlüssel: 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-Chlorethyl)Azepan;Hydrochlorid SMILES: C1CCCN(CC1)CCCl.Cl

InChI-Schlüssel ZQDSOUPBYJIPNM-UHFFFAOYSA-N
IUPAC-Name 1-(2-Chlorethyl)Azepan;Hydrochlorid
PubChem CID 24188283
CAS 26487-67-2
MDL-Nummer MFCD00012842
Molekulargewicht (g/mol) 198.131
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
Summenformel C8H17Cl2N
10

Azelastin-Hydrochlorid, Thermo Scientific Chemicals

CAS: 79307-93-0 Summenformel: C22H25Cl2N3O Molekulargewicht (g/mol): 418.36 MDL-Nummer: MFCD00242783 InChI-Schlüssel: YEJAJYAHJQIWNU-UHFFFAOYNA-N IUPAC-Name: Wasserstoff 4-[(4-Chlorphenyl)methyl]-2-(1-Methylazepan-4-yl)-1,2-Dihydrophthalazin-1-one-Chlorid SMILES: [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O

InChI-Schlüssel YEJAJYAHJQIWNU-UHFFFAOYNA-N
IUPAC-Name Wasserstoff 4-[(4-Chlorphenyl)methyl]-2-(1-Methylazepan-4-yl)-1,2-Dihydrophthalazin-1-one-Chlorid
CAS 79307-93-0
MDL-Nummer MFCD00242783
Molekulargewicht (g/mol) 418.36
SMILES [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
Summenformel C22H25Cl2N3O
11

1-(4-Nitrophenyl)-azepan, 97 %, Thermo Scientific™

CAS: 13663-23-5 Summenformel: C12H16N2O2 Molekulargewicht (g/mol): 220.272 MDL-Nummer: MFCD00156364 InChI-Schlüssel: 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)Azepan SMILES: C1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI-Schlüssel WXAAQKMTSQDMII-UHFFFAOYSA-N
IUPAC-Name 1-(4-Nitrophenyl)Azepan
PubChem CID 83639
CAS 13663-23-5
MDL-Nummer MFCD00156364
Molekulargewicht (g/mol) 220.272
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
Summenformel C12H16N2O2
12

N-Boc-hexahydro-1H-azepin-4-on, 98 %, Thermo Scientific Chemicals

CAS: 188975-88-4 Summenformel: C11H19NO3 Molekulargewicht (g/mol): 213.28 MDL-Nummer: MFCD03788435 InChI-Schlüssel: 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-Oxoazepan-1-Carboxylat SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1

InChI-Schlüssel PMLBUVZPRKXMOX-UHFFFAOYSA-N
IUPAC-Name Tert-Butyl 4-Oxoazepan-1-Carboxylat
PubChem CID 1512679
CAS 188975-88-4
MDL-Nummer MFCD03788435
Molekulargewicht (g/mol) 213.28
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
Summenformel C11H19NO3
13

1-(2-Fluor-4-nitrophenyl)-azepan, 97 %, Thermo Scientific™

CAS: 250371-80-3 Summenformel: C12H15FN2O2 Molekulargewicht (g/mol): 238.262 InChI-Schlüssel: LJVYPBVHNCEVFI-UHFFFAOYSA-N Synonym: 1-2-fluoro-4-nitrophenyl azepane PubChem CID: 2872204 IUPAC-Name: 1-(2-Fluor-4-Nitrophenyl)Azepan SMILES: C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI-Schlüssel LJVYPBVHNCEVFI-UHFFFAOYSA-N
IUPAC-Name 1-(2-Fluor-4-Nitrophenyl)Azepan
PubChem CID 2872204
CAS 250371-80-3
Molekulargewicht (g/mol) 238.262
SMILES C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F
Synonym 1-2-fluoro-4-nitrophenyl azepane
Summenformel C12H15FN2O2
14

2-(3-Piperidinyl)azepan, tech. 90 %