Trans-2-Methylcyclohexanamine Hydrochloride

CAT: 0127-OR1026236-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026236-01Size:100 mg

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CAS Number

39558-31-1

Synonyms

(1R,2R) -2-methylcyclohexan-1-amine; hydrochloride

Purity

98%

Smiles

C[C@@H]1CCCC[C@H]1N.Cl

Chemical Information

(1R,2R)-2-methylcyclohexan-1-amine hydrochloride

CAS Number	39558-31-1
PubChem CID	12714251
IUPAC Name	trans-(1R,2R)-2-methylcyclohexan-1-amine;hydrochloride
Molecular Formula	C7H16ClN
Molecular Weight	149.66
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	70

SMILES

C[C@@H]1CCCC[C@H]1N.Cl

InChI

InChI=1S/C7H15N.ClH/c1-6-4-2-3-5-7(6)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m1./s1

InChIKey

XCLFCWFKPOQAHM-ZJLYAJKPSA-N

Chemical Structure

2D Structure

CAS: 39558-31-1

CID: 12714251

Formula: C7H16ClN

MW: 149.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.66
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	149.0971272
Monoisotopic Mass	149.0971272
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	70.8
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

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