Ethyl phenylglycinate, DL-
Basic information
- CAS
6097-58-1- Standard SMILES
CCOC(=O)C(N)c1ccccc1- InChIKey
VWKGPFHYXWGWEI-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Ethyl phenylglycinate, DL-
- IUPAC
- ethyl 2-amino-2-phenylacetate
- English name
- ethyl 2-amino-2-phenylacetate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
6097-58-1Ethyl DL-phenylglycinateEthyl 2-phenylglycinateEthyl phenylglycinate, DL-Ethyl alpha-aminophenylacetatealpha-Phenylglycine ethyl esterUNII-5534267E2CBenzeneacetic acid, alpha-amino-, ethyl esteralpha-Phenylglycine ethyl ester [MI]5534267E2CETHYL .ALPHA.-AMINOPHENYLACETATE.ALPHA.-PHENYLGLYCINE ETHYL ESTER
Show more names
(±)-Phenylglycine ethyl esterBenzeneacetic acid, α-amino-, ethyl esterBenzeneacetic acid, a-aMino-, ethyl ester
.ALPHA.-PHENYLGLYCINE ETHYL ESTER [MI]BENZENEACETIC ACID, .ALPHA.-AMINO-, ETHYL ESTERRefChem:200879ETHYL PHENYLGLYCINATE, (+-)-ethyl 2-amino-2-phenylacetateEthyl phenylglycinate, (+/-)-MFCD11174349H-D-Phg-OEt . HCl
Database identifiers
- CAS
6097-58-1- PubChem CID
- 409886
- UNII
- 5534267E2C
- Nikkaji
- J434.184H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 110 · 110-111 °C(Press: 4 Torr)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- pka
- 6.83 · 6.83±0.10(Predicted)
- FDA UNII
- 5534267 E2C · 5534267E2C
Related reactions
6 records
Compound notes
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