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Azepanes

Organic heterocyclic compounds that consist of a seven-membered ring composed of six carbon atoms, one nitrogen atom, and thirteen hydrogen atoms; these compounds are cyclic secondary amines.

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1

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
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
2

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
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
3

Azelastine hydrochloride

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
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
4

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
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
5

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
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
7

1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%

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
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