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83606-96-6 | 2-Buten-1-one, 1,1'-(1,4-phenylene)bis[3-[(4-propylphenyl)amino]-
CAS No: 83606-96-6 Catalog No: AG0057E8 MDL No:
Product Description
Catalog Number:
AG0057E8
Chemical Name:
2-Buten-1-one, 1,1'-(1,4-phenylene)bis[3-[(4-propylphenyl)amino]-
CAS Number:
83606-96-6
Molecular Formula:
C32H36N2O2
Molecular Weight:
480.6404
IUPAC Name:
3-(4-propylanilino)-1-[4-[3-(4-propylanilino)but-2-enoyl]phenyl]but-2-en-1-one
InChI:
InChI=1S/C32H36N2O2/c1-5-7-25-9-17-29(18-10-25)33-23(3)21-31(35)27-13-15-28(16-14-27)32(36)22-24(4)34-30-19-11-26(8-6-2)12-20-30/h9-22,33-34H,5-8H2,1-4H3
InChI Key:
HTHYPZYSPSDUAA-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)NC(=CC(=O)c1ccc(cc1)C(=O)C=C(Nc1ccc(cc1)CCC)C)C
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.278g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
480.652g/mol
Monoisotopic Mass:
480.278g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
9.4
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