Boc-(R)-3-Amino-4-(4-chlorophenyl)butyric acid supplier

Name
BOC-(R)-3-AMINO-4-(4-CHLORO-PHENYL)-BUTYRIC ACID
EINECS
CAS No. 218608-96-9
Article Data1
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₀ClNO₄
Boiling Point 470 °C at 760 mmHg
Molecular Weight 313.781
Flash Point 238 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3R)-3-[(tert-Butoxycarbonyl)amino]-4-(4-chlorophenyl)butanoic acid;(3R)-4-(4-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid;Benzenebutanoic acid, 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaR)-;(R)-3-tert-Butoxycarbonylamino-4-(4-chloro-;
PSA 75.63000
LogP 3.64140

Boc-(R)-3-Amino-4-(4-chlorophenyl)butyric acid Specification

The Boc-(R)-3-Amino-4-(4-chlorophenyl)butyric acid, with the CAS registry number 218608-96-9, has the systematic name of (3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-chlorophenyl)butanoic acid. It belongs to the following product categories: 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. And the molecular formula of the chemical is C₁₅H₂₀ClNO₄. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Boc-(R)-3-Amino-4-(4-chlorophenyl)butyric acid are as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 23.79; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 147.23; (8)ACD/KOC (pH 7.4): 2.43; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 79.98 cm³; (15)Molar Volume: 257 cm³; (16)Polarizability: 31.7×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 238 °C; (20)Enthalpy of Vaporization: 77.16 kJ/mol; (21)Boiling Point: 470 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(cc1)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C15H20ClNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
(3)InChIKey: XHNLLTGZBXJRGH-GFCCVEGCBQ

Product Name

BOC-(R)-3-AMINO-4-(4-CHLORO-PHENYL)-BUTYRIC ACID

Boc-(R)-3-Amino-4-(4-chlorophenyl)butyric acid Specification

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