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146425-95-8 | Pentanoic acid, 5-(methylphenylamino)-, ethyl ester
CAS No: 146425-95-8 Catalog No: AG001E0C MDL No:
Product Description
Catalog Number:
AG001E0C
Chemical Name:
Pentanoic acid, 5-(methylphenylamino)-, ethyl ester
CAS Number:
146425-95-8
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
ethyl 5-(N-methylanilino)pentanoate
InChI:
InChI=1S/C14H21NO2/c1-3-17-14(16)11-7-8-12-15(2)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3
InChI Key:
RJAMLRYWAJNZLD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCN(c1ccccc1)C
Properties
Complexity:
212
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:
0
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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