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145166-02-5 | Cyclohexanol, 2-[[(1S)-1-phenylethyl]amino]-, (1S,2S)-
CAS No: 145166-02-5 Catalog No: AG001KMO MDL No:
Product Description
Catalog Number:
AG001KMO
Chemical Name:
Cyclohexanol, 2-[[(1S)-1-phenylethyl]amino]-, (1S,2S)-
CAS Number:
145166-02-5
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
2-(1-phenylethylamino)cyclohexan-1-ol
InChI:
InChI=1S/C14H21NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16/h2-4,7-8,11,13-16H,5-6,9-10H2,1H3
InChI Key:
NYCFBNYPXMBDES-UHFFFAOYSA-N
SMILES:
O[C@H]1CCCC[C@@H]1N[C@H](c1ccccc1)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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