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179176-43-3 | Benzonitrile, 4,4'-[[4-(dimethylamino)phenyl]imino]bis- (9CI)
CAS No: 179176-43-3 Catalog No: AG0026U0 MDL No:
Product Description
Catalog Number:
AG0026U0
Chemical Name:
Benzonitrile, 4,4'-[[4-(dimethylamino)phenyl]imino]bis- (9CI)
CAS Number:
179176-43-3
Molecular Formula:
C22H18N4
Molecular Weight:
338.4051
IUPAC Name:
4-(4-cyano-N-[4-(dimethylamino)phenyl]anilino)benzonitrile
InChI:
InChI=1S/C22H18N4/c1-25(2)19-11-13-22(14-12-19)26(20-7-3-17(15-23)4-8-20)21-9-5-18(16-24)6-10-21/h3-14H,1-2H3
InChI Key:
RJEPHFYDFFVTHV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N(c1ccc(cc1)N(C)C)c1ccc(cc1)C#N
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.414g/mol
Monoisotopic Mass:
338.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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