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84742-16-5 | Benzenamine, 4,4',4''-(4H-1,2,4-triazole-3,4,5-triyl)tris[N,N-diethyl-
CAS No: 84742-16-5 Catalog No: AG004YDS MDL No:
Product Description
Catalog Number:
AG004YDS
Chemical Name:
Benzenamine, 4,4',4''-(4H-1,2,4-triazole-3,4,5-triyl)tris[N,N-diethyl-
CAS Number:
84742-16-5
Molecular Formula:
C32H42N6
Molecular Weight:
510.7161
IUPAC Name:
4-[4,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-3-yl]-N,N-diethylaniline
InChI:
InChI=1S/C32H42N6/c1-7-35(8-2)27-17-13-25(14-18-27)31-33-34-32(26-15-19-28(20-16-26)36(9-3)10-4)38(31)30-23-21-29(22-24-30)37(11-5)12-6/h13-24H,7-12H2,1-6H3
InChI Key:
OYPVHZZLAPZHEG-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)n1c(nnc1c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC)CC
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.347g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.73g/mol
Monoisotopic Mass:
510.347g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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