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140408-82-8 | 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-α,α-diphenyl-, (3S)-
CAS No: 140408-82-8 Catalog No: AG001CDA MDL No:
Product Description
Catalog Number:
AG001CDA
Chemical Name:
3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-α,α-diphenyl-, (3S)-
CAS Number:
140408-82-8
Molecular Formula:
C22H21NO
Molecular Weight:
315.4082
IUPAC Name:
diphenyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
InChI:
InChI=1S/C22H21NO/c24-22(19-11-3-1-4-12-19,20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-23-21/h1-14,21,23-24H,15-16H2/t21-/m0/s1
InChI Key:
RHDBEHVNWCDLDP-NRFANRHFSA-N
SMILES:
OC(c1ccccc1)(c1ccccc1)[C@H]1NCc2c(C1)cccc2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.162g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.416g/mol
Monoisotopic Mass:
315.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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