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142017-37-6 | Benzoic acid, 3,5-bis[bis(3-methylphenyl)amino]-, ethyl ester
CAS No: 142017-37-6 Catalog No: AG001HKB MDL No:
Product Description
Catalog Number:
AG001HKB
Chemical Name:
Benzoic acid, 3,5-bis[bis(3-methylphenyl)amino]-, ethyl ester
CAS Number:
142017-37-6
Molecular Formula:
C37H36N2O2
Molecular Weight:
540.6939
IUPAC Name:
ethyl 3,5-bis(3-methyl-N-(3-methylphenyl)anilino)benzoate
InChI:
InChI=1S/C37H36N2O2/c1-6-41-37(40)30-23-35(38(31-15-7-11-26(2)19-31)32-16-8-12-27(3)20-32)25-36(24-30)39(33-17-9-13-28(4)21-33)34-18-10-14-29(5)22-34/h7-25H,6H2,1-5H3
InChI Key:
HDTKTNMUHXBIJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cc(c1)N(c1cccc(c1)C)c1cccc(c1)C)N(c1cccc(c1)C)c1cccc(c1)C
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.278g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.707g/mol
Monoisotopic Mass:
540.278g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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