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88141-66-6 | 2-Cyclohexen-1-ol, 6-[(1-methyl-3-phenylpropyl)amino]-3-phenyl-
CAS No: 88141-66-6 Catalog No: AG004F1V MDL No:
Product Description
Catalog Number:
AG004F1V
Chemical Name:
2-Cyclohexen-1-ol, 6-[(1-methyl-3-phenylpropyl)amino]-3-phenyl-
CAS Number:
88141-66-6
Molecular Formula:
C22H27NO
Molecular Weight:
321.4559
IUPAC Name:
3-phenyl-6-(4-phenylbutan-2-ylamino)cyclohex-2-en-1-ol
InChI:
InChI=1S/C22H27NO/c1-17(12-13-18-8-4-2-5-9-18)23-21-15-14-20(16-22(21)24)19-10-6-3-7-11-19/h2-11,16-17,21-24H,12-15H2,1H3
InChI Key:
LCPGBANXJWTAQD-UHFFFAOYSA-N
SMILES:
CC(NC1CCC(=CC1O)c1ccccc1)CCc1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.209g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.464g/mol
Monoisotopic Mass:
321.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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