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159721-22-9 | Alanine, N-(phenylmethyl)-, methyl ester
CAS No: 159721-22-9 Catalog No: AG001RCO MDL No:MFCD12783678
Product Description
Catalog Number:
AG001RCO
Chemical Name:
Alanine, N-(phenylmethyl)-, methyl ester
CAS Number:
159721-22-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD12783678
IUPAC Name:
methyl 2-(benzylamino)propanoate
InChI:
InChI=1S/C11H15NO2/c1-9(11(13)14-2)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChI Key:
HIVDOHPKFIBYPZ-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H](NCc1ccccc1)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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