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128532-40-1 | Benzenemethanamine, N-(phenylmethyl)-N-[3-(trifluoromethyl)phenyl]-
CAS No: 128532-40-1 Catalog No: AG000Y6E MDL No:
Product Description
Catalog Number:
AG000Y6E
Chemical Name:
Benzenemethanamine, N-(phenylmethyl)-N-[3-(trifluoromethyl)phenyl]-
CAS Number:
128532-40-1
Molecular Formula:
C21H18F3N
Molecular Weight:
341.3695
IUPAC Name:
N,N-dibenzyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C21H18F3N/c22-21(23,24)19-12-7-13-20(14-19)25(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChI Key:
OBZGHCBDDXTXBI-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)N(Cc1ccccc1)Cc1ccccc1)(F)F
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.139g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.377g/mol
Monoisotopic Mass:
341.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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