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823812-77-7 | Benzenamine, 4,4'-methylenebis[N,N-bis(3,4-dimethylphenyl)-
CAS No: 823812-77-7 Catalog No: AG004Y0H MDL No:
Product Description
Catalog Number:
AG004Y0H
Chemical Name:
Benzenamine, 4,4'-methylenebis[N,N-bis(3,4-dimethylphenyl)-
CAS Number:
823812-77-7
Molecular Formula:
C45H46N2
Molecular Weight:
614.8601
IUPAC Name:
N-(3,4-dimethylphenyl)-N-[4-[[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl]phenyl]-3,4-dimethylaniline
InChI:
InChI=1S/C45H46N2/c1-30-9-17-42(25-34(30)5)46(43-18-10-31(2)35(6)26-43)40-21-13-38(14-22-40)29-39-15-23-41(24-16-39)47(44-19-11-32(3)36(7)27-44)45-20-12-33(4)37(8)28-45/h9-28H,29H2,1-8H3
InChI Key:
SBGASYRCOHZTEF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)N(c1ccc(c(c1)C)C)c1ccc(cc1)Cc1ccc(cc1)N(c1ccc(c(c1)C)C)c1ccc(c(c1)C)C
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
614.366g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
614.877g/mol
Monoisotopic Mass:
614.366g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.2
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