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(R)-3-Amino-3-(3-chlorophenyl)propionic acid

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Name

(R)-3-Amino-3-(3-chlorophenyl)propionic acid

EINECS N/A
CAS No. 262429-49-2 Density 1.333 g/cm3
PSA 63.32000 LogP 2.51480
Solubility N/A Melting Point 230-233 °C(Solv: water (7732-18-5); acetone (67-64-1))
Formula C9H10ClNO2 Boiling Point 334.738 °C at 760 mmHg
Molecular Weight 199.63 Flash Point 156.244 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 262429-49-2 ((R)-3-AMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID) Hazard Symbols N/A
Synonyms

(R)-3-Amino-3-(3-chlorophenyl)propanoicacid;(3R)-3-amino-3-(3-chlorophenyl)propanoic acid;Benzenepropanoic acid, beta-amino-3-chloro-, (betaR)-;(R)-?-(3-Chlorophenyl)alanine;R-3-Amino-3-(3-chloro-phenyl)-propionic acid;

Article Data 3

(R)-3-Amino-3-(3-chlorophenyl)propionic acid Specification

The (R)-3-Amino-3-(3-chlorophenyl)propionic acid, with the CAS registry number 262429-49-2, has the systematic name of (3R)-3-amino-3-(3-chlorophenyl)propanoic acid. The molecular formula of the chemical is C9H10ClNO2. And it belongs to the following product categories: 3-Amino-3-phenylpropionic Acid Analogs; 3-Amino-3-phenylpropanoic Acid Analogs; API intermediates; B-Amino.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 50.43 cm3; (9)Molar Volume: 149.7 cm3; (10)Polarizability: 19.99×10-24cm3; (11)Surface Tension: 55.6 dyne/cm; (12)Density: 1.333 g/cm3; (13)Flash Point: 156.2 °C; (14)Enthalpy of Vaporization: 60.98 kJ/mol; (15)Boiling Point: 334.7 °C at 760 mmHg; (16)Vapour Pressure: 4.95E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(ccc1)[C@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: LIDRHPCWOYOBIZ-MRVPVSSYBH

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