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19988-39-7 | Cyclohexanamine, 2-phenyl-, hydrochloride, trans- (9CI)
CAS No: 19988-39-7 Catalog No: AG002CFD MDL No:
Product Description
Catalog Number:
AG002CFD
Chemical Name:
Cyclohexanamine, 2-phenyl-, hydrochloride, trans- (9CI)
CAS Number:
19988-39-7
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
IUPAC Name:
(1R,2S)-2-phenylcyclohexan-1-amine;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-3,6-7,11-12H,4-5,8-9,13H2;1H/t11-,12+;/m0./s1
InChI Key:
FPWNXZWCBDBELJ-ZVWHLABXSA-N
SMILES:
N[C@@H]1CCCC[C@H]1c1ccccc1.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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