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10029-24-0 | Alanine, N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-, dimethyl ester (9CI)
CAS No: 10029-24-0 Catalog No: AG0001H8 MDL No:
Product Description
Catalog Number:
AG0001H8
Chemical Name:
Alanine, N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-, dimethyl ester (9CI)
CAS Number:
10029-24-0
Molecular Formula:
C23H30N2O4
Molecular Weight:
398.4953
IUPAC Name:
methyl 2-[4-[[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]phenyl]methyl]anilino]-2-methylpropanoate
InChI:
InChI=1S/C23H30N2O4/c1-22(2,20(26)28-5)24-18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)25-23(3,4)21(27)29-6/h7-14,24-25H,15H2,1-6H3
InChI Key:
XJQDOEYAAOYHLG-UHFFFAOYSA-N
SMILES:
COC(=O)C(Nc1ccc(cc1)Cc1ccc(cc1)NC(C(=O)OC)(C)C)(C)C
EC Number:
233-076-0
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.221g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.503g/mol
Monoisotopic Mass:
398.221g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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