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1624262-11-8 | β-Alanine, N-[4-[[(3-chlorophenyl)amino]methyl]benzoyl]-, ethyl ester
CAS No: 1624262-11-8 Catalog No: AG001T5E MDL No:
Product Description
Catalog Number:
AG001T5E
Chemical Name:
β-Alanine, N-[4-[[(3-chlorophenyl)amino]methyl]benzoyl]-, ethyl ester
CAS Number:
1624262-11-8
Molecular Formula:
C19H21ClN2O3
Molecular Weight:
360.8346
IUPAC Name:
ethyl 3-[[4-[(3-chloroanilino)methyl]benzoyl]amino]propanoate
InChI:
InChI=1S/C19H21ClN2O3/c1-2-25-18(23)10-11-21-19(24)15-8-6-14(7-9-15)13-22-17-5-3-4-16(20)12-17/h3-9,12,22H,2,10-11,13H2,1H3,(H,21,24)
InChI Key:
PTAAQMLJAODTBN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCNC(=O)c1ccc(cc1)CNc1cccc(c1)Cl
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.838g/mol
Monoisotopic Mass:
360.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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