DL-Phenylalanine, methyl ester

HCID 75737
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Basic information

CAS
15028-44-1
Standard SMILES
COC(=O)C(N)Cc1ccccc1
InChIKey
VSDUZFOSJDMAFZ-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
DL-Phenylalanine, methyl ester
IUPAC
methyl 2-amino-3-phenylpropanoate
English name
methyl 3-phenyl-DL-alaninate
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

15028-44-1Methyl 3-phenyl-DL-alaninateDL-Phenylalanine, methyl esterMethyl DL-phenylalaninateN9U5JM8RLKRefChem:1083913239-109-5Methyl 2-amino-3-phenylpropanoateDL-phenylalanine methyl esterH-DL-Phe-OMe HClMethyl phenylalaninate(+/-)-Phenylalanine methyl ester
Show more names
DL-Phenylalanine methylDL-Phenylalanine, methyl ester (ZCI)rac-[(R*)-α-(Methoxycarbonyl)phenethyl]aminerac-(R*)-α-Aminobenzenepropionic acid methyl esterrac-(R*)-2-Amino-3-phenylpropionic acid methyl ester
MFCD000445822-Amino-3-phenyl-propionic acid methyl esterphenylalanine, methyl esterD-Phenylalanine, methylesterl-phe methyl esterEINECS 239-109-52-Amino-3-phenylpropionic Acid Methyl EsterSCHEMBL74887

Database identifiers

CAS
15028-44-1、21685-51-8
PubChem CID
75737
DTXSID
DTXSID40903021
UNII
N9U5JM8RLK
EC Number
239-109-5
Nikkaji
J238.254G

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
155 °C · 155 °C
Boiling point
264.2 · 264.2±20.0 °C(Predicted)
Density
1.1 · 1.100±0.06 g/cm3(Predicted)
pka
7.13 · 7.13±0.33(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesDL-Phenylalanine Methyl Ester is a reactant in the preparation of (±)-Streptopyrrolidine.

Suppliers20 total

杭州品高化工有限公司0571-87658025 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]

Related reactions

106 records
New reaction record

Compound notes

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