CAS No.262429-49-2,(R)-3-AMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	262429-49-2
Name:	(R)-3-AMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID
Article Data:	3

Formula:	C₉H₁₀ClNO₂
Molecular Weight:	199.63
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;
Density:	1.333 g/cm³
Melting Point:	230-233 °C(Solv: water (7732-18-5); acetone (67-64-1))
Boiling Point:	334.738 °C at 760 mmHg
Flash Point:	156.244 °C
PSA:	63.32000
LogP:	2.51480

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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