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Cas Database |
| Name |
Ethyl (S)-2-amino-4-phenylbutyrate |
EINECS | N/A |
| CAS No. | 46460-23-5 | Density | 1.058 |
| PSA | 52.32000 | LogP | 2.20990 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H17 N O2 | Boiling Point | 311.4±35.0 °C(Predicted) |
| Molecular Weight | 207.272 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenebutanoicacid, a-amino-, ethyl ester, (S)-;(S)-(+)-Homophenylalanine ethyl ester; (S)-Homophenylalanine ethyl ester; Ethyl(S)-2-amino-4-phenylbutyrate; Ethyl (S)-4-phenyl-2-aminobutyrate;L-Homophenylalanine ethyl ester |
Article Data | 19 |
Ethyl (S)-2-amino-4-phenylbutyrate Chemical Properties
Molecular structure of Ethyl (S)-2-amino-4-phenylbutyrate (CAS NO.46460-23-5) is:
Product Name: Ethyl (S)-2-amino-4-phenylbutyrate
CAS Registry Number: 46460-23-5
IUPAC Name: ethyl (2S)-2-amino-4-phenylbutanoate
Molecular Weight: 207.26888 [g/mol]
Molecular Formula: C12H17NO2
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Index of Refraction: 1.52
Molar Refractivity: 59.6 cm3
Molar Volume: 195.8 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.058 g/cm3
Flash Point: 164.8 °C
Enthalpy of Vaporization: 55.23 kJ/mol
Boiling Point: 311.4 °C at 760 mmHg
Vapour Pressure: 0.000564 mmHg at 25 °C
Product Categories: API intermediates
Canonical SMILES: CCOC(=O)C(CCC1=CC=CC=C1)N
Isomeric SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N
InChI: InChI=1S/C12H17NO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3/t11-/m0/s1
InChIKey: WFLQXECQLHZKMV-NSHDSACASA-N
Ethyl (S)-2-amino-4-phenylbutyrate Specification
Ethyl (S)-2-amino-4-phenylbutyrate , its cas register number is 46460-23-5. It also can be called Benzenebutanoic acid, a-amino-, ethyl ester, (aS)- .
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