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88141-58-6 | 2-Cyclohexen-1-ol, 6-[(1-methylethyl)amino]-3-phenyl-, trans-
CAS No: 88141-58-6 Catalog No: AG004GRF MDL No:
Product Description
Catalog Number:
AG004GRF
Chemical Name:
2-Cyclohexen-1-ol, 6-[(1-methylethyl)amino]-3-phenyl-, trans-
CAS Number:
88141-58-6
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
(1R,6R)-3-phenyl-6-(propan-2-ylamino)cyclohex-2-en-1-ol
InChI:
InChI=1S/C15H21NO/c1-11(2)16-14-9-8-13(10-15(14)17)12-6-4-3-5-7-12/h3-7,10-11,14-17H,8-9H2,1-2H3/t14-,15-/m1/s1
InChI Key:
XSJUYPVOFYUQCG-HUUCEWRRSA-N
SMILES:
CC(N[C@@H]1CCC(=C[C@H]1O)c1ccccc1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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