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4-Methyl-4-phenylcyclohexan-1-amine hydrochloride

CAT: 0926-GCA32727-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GCA32727-01Size:50 mg
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CAS Number
56327-27-6
MDL Number
MFCD22392140
Smiles
CC1 (CCC (CC1) N) C2=CC=CC=C2.Cl
Molecular Formula
C13H20ClN
Molecular Weight
225.76 g/mol
Controlled
No

Chemical Information

4-Methyl-4-phenylcyclohexan-1-amine hydrochloride
CAS Number56327-27-6
PubChem CID71756550
IUPAC Name4-methyl-4-phenylcyclohexan-1-amine;hydrochloride
Molecular FormulaC13H20ClN
Molecular Weight225.76
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity174
SMILES
CC1(CCC(CC1)N)C2=CC=CC=C2.Cl
InChI
InChI=1S/C13H19N.ClH/c1-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11;/h2-6,12H,7-10,14H2,1H3;1H
InChIKey
NSDGXHHOIBQACL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-4-phenylcyclohexan-1-amine hydrochloride
CAS: 56327-27-6
CID: 71756550
Formula: C13H20ClN
MW: 225.76
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight225.76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass225.1284273
Monoisotopic Mass225.1284273
Topological Polar Surface Area26 Ų
Heavy Atom Count15
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes