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99985-63-4 | Ethyl 3-(benzylamino)-2-methylpropanoate
CAS No: 99985-63-4 Catalog No: AG003VNZ MDL No:MFCD00100898
Product Description
Catalog Number:
AG003VNZ
Chemical Name:
Ethyl 3-(benzylamino)-2-methylpropanoate
CAS Number:
99985-63-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD00100898
IUPAC Name:
ethyl 3-(benzylamino)-2-methylpropanoate
InChI:
InChI=1S/C13H19NO2/c1-3-16-13(15)11(2)9-14-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChI Key:
CRLWGPSWMIFWRM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CNCc1ccccc1)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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