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142017-30-9

142017-30-9 | 1,3-Benzenediamine, 5-chloro-N1,N1,N3,N3-tetrakis(3-methylphenyl)-

CAS No: 142017-30-9 Catalog No: AG001HKC MDL No:

Product Description

Catalog Number:
AG001HKC
Chemical Name:
1,3-Benzenediamine, 5-chloro-N1,N1,N3,N3-tetrakis(3-methylphenyl)-
CAS Number:
142017-30-9
Molecular Formula:
C34H31ClN2
Molecular Weight:
503.0763
IUPAC Name:
5-chloro-1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine
InChI:
InChI=1S/C34H31ClN2/c1-24-9-5-13-29(17-24)36(30-14-6-10-25(2)18-30)33-21-28(35)22-34(23-33)37(31-15-7-11-26(3)19-31)32-16-8-12-27(4)20-32/h5-23H,1-4H3
InChI Key:
NYAOEIVEQLVKLQ-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)N(c1cccc(c1)C)c1cccc(c1)C)N(c1cccc(c1)C)c1cccc(c1)C

Properties

Complexity:
597  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.218g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.086g/mol
Monoisotopic Mass:
502.218g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5  

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