Cis-3-Aminocyclohexanecarbonitrile hydrochloride

CAT: 0127-OR1067023-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1067023-01Size:100 mg

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CAS Number

1403323-06-7

MDL Number

MFCD22548414

Purity

95%

Smiles

N#C[C@H]1C[C@@H](N)CCC1.[H]Cl

Chemical Information

cis-3-Aminocyclohexanecarbonitrile hydrochloride

CAS Number	1403323-06-7
PubChem CID	75366832
IUPAC Name	cis-(1R,3S)-3-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	133

SMILES

C1C[C@H](C[C@H](C1)N)C#N.Cl

InChI

InChI=1S/C7H12N2.ClH/c8-5-6-2-1-3-7(9)4-6;/h6-7H,1-4,9H2;1H/t6-,7+;/m1./s1

InChIKey

ZBUXGIYHCTWUTA-HHQFNNIRSA-N

Chemical Structure

2D Structure

CAS: 1403323-06-7

CID: 75366832

Formula: C7H13ClN2

MW: 160.64

Interactive 3D Structure

Loading 3D structure...

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	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
OR1042454-01	Cis-4-Aminocyclohexanecarbonitrile hydrochloride
OR500002-01	4-Aminocyclohexanecarbonitrile hydrochloride
OR1015280-01	Trans-4-Aminocyclohexanecarbonitrile Hydrochloride
OR317291	Cis-3-Methylsulfonylcyclobutylamine hydrochloride
OR1069403-01	Cis-3-Aminocyclohexanol hydrochloride
OR317139	Cis-3-Methoxycyclobutanamine hydrochloride
OR308097	Cis-3-Aminocyclobutanol hydrochloride
OR1007324-01	Cis-3-methylcyclohexanamine hydrochloride
OR304346-01	Cis-3-Aminocyclobutanecarbonitrile hydrochloride
OR1059306-01	Cis-2,3-Dimethylazetidine hydrochloride

Catalog	Name
MFC44551-01	Cis-4-aminocyclohexanecarbonitrile hydrochloride
YJB53733-01	Trans-4-Aminocyclohexanecarbonitrile hydrochloride
HY-W057861	Cis-3-Aminocyclobutanecarbonitrile hydrochloride
TRC-C017291-2.5G	cis-3-Aminocyclobutanol Hydrochloride
IGC07454	Cis-3-Methoxycyclobutanamine hydrochloride
LHA39321-01	Cis-3,4-Pyrrolidinediol hydrochloride
sc-353142A	(cis) -3-aminocyclobutanecarboxylic acid hydrochloride
GTR19275397-01	Cis-3- (Aminomethyl) cyclobutanol hydrochloride
GTR19275214-01	Cis-Methyl 3-aminocyclobutanecarboxylate hydrochloride
XIA53029	Methyl cis-3-Aminocyclopentanecarboxylate hydrochloride