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