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1010811-74-1 | Cyclohexanamine, 2-(phenylmethoxy)-, hydrochloride (1:1), (1S,2S)-
CAS No: 1010811-74-1 Catalog No: AG0003OF MDL No:MFCD09264087
Product Description
Catalog Number:
AG0003OF
Chemical Name:
Cyclohexanamine, 2-(phenylmethoxy)-, hydrochloride (1:1), (1S,2S)-
CAS Number:
1010811-74-1
Molecular Formula:
C13H20ClNO
Molecular Weight:
241.7570
MDL Number:
MFCD09264087
IUPAC Name:
(1S,2S)-2-phenylmethoxycyclohexan-1-amine;hydrochloride
InChI:
InChI=1S/C13H19NO.ClH/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10,14H2;1H/t12-,13-;/m0./s1
InChI Key:
ODDBKOFUCJGDJN-QNTKWALQSA-N
SMILES:
N[C@H]1CCCC[C@@H]1OCc1ccccc1.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
241.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.759g/mol
Monoisotopic Mass:
241.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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