4-Phenylazepane hydrochloride

CAT: 0926-HAA50040Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-HAA50040Size:2.5 g

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CAS Number

7500-40-5

MDL Number

MFCD06738857

Smiles

C1CC (CCNC1) C2=CC=CC=C2.Cl

Molecular Formula

C12H17N·HCl

Molecular Weight

211.73 g/mol

Controlled

Chemical Information

4-Phenylazepane hydrochloride

CAS Number	7500-40-5
PubChem CID	24200663
IUPAC Name	4-phenylazepane;hydrochloride
Molecular Formula	C12H18ClN
Molecular Weight	211.73
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	138

SMILES

C1CC(CCNC1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C12H17N.ClH/c1-2-5-11(6-3-1)12-7-4-9-13-10-8-12;/h1-3,5-6,12-13H,4,7-10H2;1H

InChIKey

AZUFAMJWMHXXST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7500-40-5

CID: 24200663

Formula: C12H18ClN

MW: 211.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.73
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	211.1127773
Monoisotopic Mass	211.1127773
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
DAA46683-01	2-Phenylazepane hydrochloride
IMB74333-01	4-Methyl-4-phenylazepane
BAA20288-01	4-Phenylazepan-4-ol hydrochloride
DXC56289-01	Tert-Butyl 4-oxo-5-phenylazepane-1-carboxylate
BTC91756-01	Tert-Butyl 4-amino-5-phenylazepane-1-carboxylate
UND37181-01	2-Phenylazocane hydrochloride
PCA28597-01	4,4-Dimethylpentanimidamide hydrochloride
DAA97065-01	4,4-Diethylpiperidine hydrochloride
YXC32023-01	4,4-Dimethylaminorex hydrochloride
CAA79432-01	4,4,4-Trifluorobutanimidamide hydrochloride

Catalog	Name
sc-343195	2-phenylazepane hydrochloride
TYD-01347-01	4,4-Difluoropiperidine hydrochloride
433606-01	4,4’-Dimethylaminorex Hydrochloride
sc-361084	4,4-Pentamethylenepiperidine hydrochloride
OR1011311-01	4,4-Dimethylpiperidine Hydrochloride
sc-290507	4,4-Diphenylpiperidine hydrochloride
T37372-01	4,4-Diphenylbutylamine hydrochloride
PC409043-01	4,4-Difluoroazepane hydrochloride
HY-141422A-01	4,4-Diphenylbutylamine (hydrochloride)
HY-W001440-01	4,4-Difluoropiperidine (hydrochloride)