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15028-44-1 | Phenylalanine, methyl ester
CAS No: 15028-44-1 Catalog No: AG001MGV MDL No:MFCD00044582
Product Description
Catalog Number:
AG001MGV
Chemical Name:
Phenylalanine, methyl ester
CAS Number:
15028-44-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00044582
IUPAC Name:
methyl 2-amino-3-phenylpropanoate
InChI:
InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
InChI Key:
VSDUZFOSJDMAFZ-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](Cc1ccccc1)N
EC Number:
239-109-5
NSC Number:
522409
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis of fluorescent label, DBD-beta-proline, and the resolution efficiency for chiral amines by reversed-phase chromatography. | Biomedical chromatography : BMC 20050101 |
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