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886366-15-0 | Benzenepropanoic acid,3-methyl-a-[(methylamino)methyl]-, ethylester
CAS No: 886366-15-0 Catalog No: AG004AEO MDL No:
Product Description
Catalog Number:
AG004AEO
Chemical Name:
Benzenepropanoic acid,3-methyl-a-[(methylamino)methyl]-, ethylester
CAS Number:
886366-15-0
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
ethyl 2-(methylaminomethyl)-3-(3-methylphenyl)propanoate
InChI:
InChI=1S/C14H21NO2/c1-4-17-14(16)13(10-15-3)9-12-7-5-6-11(2)8-12/h5-8,13,15H,4,9-10H2,1-3H3
InChI Key:
AKJNNENPVDCYPU-UHFFFAOYSA-N
SMILES:
CNCC(C(=O)OCC)Cc1cccc(c1)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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