1-Phenylcyclohexanamine hydrochloride

CAT: 0926-FP139689-02Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-FP139689-02Size:1000 mg

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CAS Number

1934-71-0

MDL Number

MFCD01735256

Smiles

C1CCC (CC1) (C2=CC=CC=C2) N.Cl

Molecular Formula

C12H18ClN

Molecular Weight

211.73 g/mol

Controlled

Yes

Chemical Information

Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)

CAS Number	1934-71-0
PubChem CID	200391
IUPAC Name	1-phenylcyclohexan-1-amine;hydrochloride
Molecular Formula	C12H18ClN
Molecular Weight	211.73
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	153

SMILES

C1CCC(CC1)(C2=CC=CC=C2)N.Cl

InChI

InChI=1S/C12H17N.ClH/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5-6,9-10,13H2;1H

InChIKey

AFQRMCRVQVUGMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1934-71-0

CID: 200391

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	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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