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46460-23-5

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Basic Information
CAS No.: 46460-23-5
Name: L-Homophenylalanine ethyl ester
Article Data: 19
Molecular Structure:
Molecular Structure of 46460-23-5 (L-Homophenylalanine ethyl ester)
Formula: C12H17 N O2
Molecular Weight: 207.272
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
Density: 1.058
Boiling Point: 311.4±35.0 °C(Predicted)
PSA: 52.32000
LogP: 2.20990
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Chemistry

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

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)- .