Phenylalanine ethyl ester

HCID 76506
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Basic information

CAS
3081-24-1
Standard SMILES
CCOC(=O)[C@@H](N)Cc1ccccc1
InChIKey
CJGXMNONHNZEQQ-JTQLQIEISA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol
Monoisotopic mass
193.11027872

Names & identifiers

Preferred name
Phenylalanine ethyl ester
IUPAC
ethyl (2S)-2-amino-3-phenylpropanoate
English name
ethyl 3-phenyl-L-alaninate
Molecular formula
C11H15NO2
Molecular weight
193.2423

Names & synonyms

Phenylalanine ethyl esterRefChem:861704Ethyl L-phenylalanate3081-24-1ethyl (2S)-2-amino-3-phenylpropanoateethyl l-phenylalaninate(S)-Ethyl 2-amino-3-phenylpropanoateL-Phenylalanine, ethyl esterPhenylalanine, ethyl esterL-PHENYLALANINE ETHYL ESTER26O5DCZ9XVH-Phe-OEt HCl
Show more names
L-Phe-OEtL-Phenylalanine ethyl3-Phenyl-L-alanine ethyl ester
L-phenylalanine ethylesterUNII-26O5DCZ9XVEthyl 3-phenyl-L-alaninateEthyl 2-amino-3-phenylpropionateAlanine, phenyl-, ethyl ester, L-EINECS 221-378-5O-Ethyl-L-phenylalanine3-Phenylalanine ethyl ester

Database identifiers

CAS
3081-24-1
PubChem CID
76506
DTXSID
DTXSID20184816
ChEMBL
CHEMBL1221903
ChEBI
CHEBI:229633
UNII
26O5DCZ9XV
EC Number
221-378-5
Nikkaji
J103.965B

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Melting point
136 °C · 136°C
Boiling point
329.46 °C · 329.46°C (rough estimate)
Density
1.065 · 1.0650
refractive index
1.5041 · 1.5041 (estimate)
pka
7.29 · 7.29±0.33(Predicted)
FDA UNII
26 O5DCZ9XV · 26O5DCZ9XV

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers8 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海双锕化学科技有限公司15010167677 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]

Related reactions

15 records
New reaction record

Compound notes

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