4-Aminocyclohexanecarbonitrile hydrochloride

CAT: 0127-OR500002-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR500002-01Size:100 mg

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CAS Number

1303968-08-2

MDL Number

MFCD18914312

Purity

97%

Smiles

Cl.NC1CCC(CC1)C#N

Chemical Information

Rac-(1r,4r)-4-aminocyclohexane-1-carbonitrile hydrochloride

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CAS Number	1303968-08-2
PubChem CID	53407876
IUPAC Name	4-aminocyclohexane-1-carbonitrile;hydrochloride
Molecular Formula	C7H13ClN2
Molecular Weight	160.64
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

C1CC(CCC1C#N)N.Cl

InChI

InChI=1S/C7H12N2.ClH/c8-5-6-1-3-7(9)4-2-6;/h6-7H,1-4,9H2;1H

InChIKey

BTLVSLNZSMIPCW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1303968-08-2

CID: 53407876

Formula: C7H13ClN2

MW: 160.64

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	160.64
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	160.0767261
Monoisotopic Mass	160.0767261
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
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

Catalog	Name
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Catalog	Name
MFC44551-01	Cis-4-aminocyclohexanecarbonitrile hydrochloride
YJB53733-01	Trans-4-Aminocyclohexanecarbonitrile hydrochloride
274106-01	4,4-Diphenylpiperidine Hydrochloride
TRC-D471300-250MG	4,4’-Dimethylaminorex Hydrochloride
GTR19244887-01	4,4-Difluoropiperidine hydrochloride
T37372-01	4,4-Diphenylbutylamine hydrochloride
HY-141422A-01	4,4-Diphenylbutylamine (hydrochloride)
DAA97065-01	4,4-Diethylpiperidine hydrochloride
YXC32023-01	4,4-Dimethylaminorex hydrochloride
HY-W001440-01	4,4-Difluoropiperidine (hydrochloride)