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201802-12-2 | 1,4-Benzenediamine, N1-(3-methylphenyl)-N1-phenyl-
CAS No: 201802-12-2 Catalog No: AG0027U8 MDL No:
Product Description
Catalog Number:
AG0027U8
Chemical Name:
1,4-Benzenediamine, N1-(3-methylphenyl)-N1-phenyl-
CAS Number:
201802-12-2
Molecular Formula:
C19H18N2
Molecular Weight:
274.3596
IUPAC Name:
4-N-(3-methylphenyl)-4-N-phenylbenzene-1,4-diamine
InChI:
InChI=1S/C19H18N2/c1-15-6-5-9-19(14-15)21(17-7-3-2-4-8-17)18-12-10-16(20)11-13-18/h2-14H,20H2,1H3
InChI Key:
GVWZYOHRSTWNNF-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N(c1cccc(c1)C)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.367g/mol
Monoisotopic Mass:
274.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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