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26479-97-0 | Hexanedioic acid, 1,6-bis[2-[ethyl(3-methylphenyl)amino]ethyl] ester
CAS No: 26479-97-0 Catalog No: AG002TDC MDL No:
Product Description
Catalog Number:
AG002TDC
Chemical Name:
Hexanedioic acid, 1,6-bis[2-[ethyl(3-methylphenyl)amino]ethyl] ester
CAS Number:
26479-97-0
Molecular Formula:
C28H40N2O4
Molecular Weight:
468.6282
IUPAC Name:
bis[2-(N-ethyl-3-methylanilino)ethyl] hexanedioate
InChI:
InChI=1S/C28H40N2O4/c1-5-29(25-13-9-11-23(3)21-25)17-19-33-27(31)15-7-8-16-28(32)34-20-18-30(6-2)26-14-10-12-24(4)22-26/h9-14,21-22H,5-8,15-20H2,1-4H3
InChI Key:
GSGOXDRESSXNBM-UHFFFAOYSA-N
SMILES:
CCN(c1cccc(c1)C)CCOC(=O)CCCCC(=O)OCCN(c1cccc(c1)C)CC
EC Number:
247-729-2
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.299g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.638g/mol
Monoisotopic Mass:
468.299g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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