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7470-00-0 | Benzenemethanol,4-chloro-a-[[[[4-(dimethylamino)phenyl]methyl](phenylmethyl)amino]methyl]-
CAS No: 7470-00-0 Catalog No: AG005IF6 MDL No:
Product Description
Catalog Number:
AG005IF6
Chemical Name:
Benzenemethanol,4-chloro-a-[[[[4-(dimethylamino)phenyl]methyl](phenylmethyl)amino]methyl]-
CAS Number:
7470-00-0
Molecular Formula:
C24H27ClN2O
Molecular Weight:
394.9370
IUPAC Name:
2-[benzyl-[[4-(dimethylamino)phenyl]methyl]amino]-1-(4-chlorophenyl)ethanol
InChI:
InChI=1S/C24H27ClN2O/c1-26(2)23-14-8-20(9-15-23)17-27(16-19-6-4-3-5-7-19)18-24(28)21-10-12-22(25)13-11-21/h3-15,24,28H,16-18H2,1-2H3
InChI Key:
XXXMXQTVJZBBAG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(CN(Cc1ccc(cc1)N(C)C)Cc1ccccc1)O
NSC Number:
402322
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.181g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.943g/mol
Monoisotopic Mass:
394.181g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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