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Basic Information
CAS No.: 131690-60-3
Name: (S)-3-AMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID
Article Data: 9
Molecular Structure:
Molecular Structure of 131690-60-3 ((S)-3-AMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID)
Formula: C9H10ClNO2
Molecular Weight: 199.637
Synonyms: Benzenepropanoicacid, b-amino-4-chloro-, (S)-;S-3-Amino-3-(4-chlorophenyl)propanoic acid;
Density: 1.333 g/cm3
Boiling Point: 345.8 °C at 760 mmHg
Flash Point: 162.9 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 63.32000
LogP: 2.51480
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Chemistry

Systematic Name: (3S)-3-Amino-3-(4-chlorophenyl)propanoic acid
Synonyms of (S)-3-Amino-3-(4-chlorophenyl)propionic acid (CAS NO.131690-60-3): (S)-beta-4-Chlorophenylalanine
CAS NO: 131690-60-3
Molecular Formula: C9H10ClNO2
Molecular Weight: 199.63
Molecular Structure:
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.588
Molar Refractivity: 50.43 cm3
Molar Volume: 149.7 cm3
Surface Tension: 55.6 dyne/cm
Density: 1.333 g/cm3
Flash Point: 162.9 °C
Enthalpy of Vaporization: 62.25 kJ/mol
Boiling Point: 345.8 °C at 760 mmHg
Vapour Pressure: 2.29E-05 mmHg at 25°C
SMILES: Clc1ccc(cc1)[C@@H](N)CC(=O)O InChI: InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey: BXGDBHAMTMMNTO-QMMMGPOBBC
Std. InChI: InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s
Std. InChIKey: BXGDBHAMTMMNTO-QMMMGPOBSA-N
Product Categories of (S)-3-Amino-3-(4-chlorophenyl)propionic acid (CAS NO.131690-60-3): 3-Amino-3-phenylpropionic Acid Analogs;3-Amino-3-phenylpropanoic Acid Analogs;API intermediates;B-Amino

Safety Profile

Risk Statements: 36/37/38
R36/37/38: (S)-3-Amino-3-(4-chlorophenyl)propionic acid (CAS NO.131690-60-3) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.