CAS No.479064-93-2,Boc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	479064-93-2
Name:	Boc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid
Article Data:	1

Formula:	C₁₄H₁₈ClNO₄
Molecular Weight:	299.754
Synonyms:	(3R)-3-[(tert-butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid;(R)-3-(Boc-amino)-3-(4-chlorophenyl)propionic acid;(R)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid;(R)-3-tert-Butoxycarbonylamino-3-(4-chloro-phenyl)-propionic acid;(R)-Boc-4-chloro-β-Phe-OH;Boc-(R)-3-Amino-3-(4-chloro-phenyl)-propionic acid;Boc-4-chloro-L-β-phenylalanine;
Density:	1.243 g/cm³
Boiling Point:	453.9 °C at 760 mmHg
Flash Point:	228.3 °C
PSA:	75.63000
LogP:	3.77140

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Specification

The Boc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid, with the CAS registry number 479064-93-2, has the systematic name of (3R)-3-[(tert-butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid. It belongs to the following product categories: 3-Amino-3-phenylpropionic Acid Analogs; 3-Amino-3-phenylpropanoic Acid Analogs; API intermediates; B-Amino. And the molecular formula of the chemical is C₁₄H₁₈ClNO₄.

The characteristics of Boc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid are as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 7.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.28; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 75.39 cm³; (15)Molar Volume: 240.9 cm³; (16)Polarizability: 29.88×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 228.3 °C; (20)Enthalpy of Vaporization: 75.17 kJ/mol; (21)Boiling Point: 453.9 °C at 760 mmHg; (22)Vapour Pressure: 4.99E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(cc1)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: ZPXVKCUGZBGIBW-LLVKDONJBV