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87618-12-0 | Benzenemethanamine, N,N'-(methylenedi-4,1-phenylene)bis[N-ethyl-
CAS No: 87618-12-0 Catalog No: AG004I28 MDL No:
Product Description
Catalog Number:
AG004I28
Chemical Name:
Benzenemethanamine, N,N'-(methylenedi-4,1-phenylene)bis[N-ethyl-
CAS Number:
87618-12-0
Molecular Formula:
C31H34N2
Molecular Weight:
434.6151
IUPAC Name:
N-benzyl-4-[[4-[benzyl(ethyl)amino]phenyl]methyl]-N-ethylaniline
InChI:
InChI=1S/C31H34N2/c1-3-32(24-28-11-7-5-8-12-28)30-19-15-26(16-20-30)23-27-17-21-31(22-18-27)33(4-2)25-29-13-9-6-10-14-29/h5-22H,3-4,23-25H2,1-2H3
InChI Key:
VHTZZWCDEFPDQP-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)Cc1ccc(cc1)N(Cc1ccccc1)CC)Cc1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.272g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.627g/mol
Monoisotopic Mass:
434.272g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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