N-Boc-2-(4'-chlorophenyl)-DL-glycine supplier

Name
N-BOC-2-(4''-CHLOROPHENYL)-DL-GLYCINE
EINECS
CAS No. 209525-73-5
Density 1.273 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆ClNO₄
Boiling Point 438.8 °C at 760 mmHg
Molecular Weight 285.72
Flash Point 219.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(tert-Butoxycarbonylamino)-2-(4-chlorophenyl)aceticacid;[(tert-butoxycarbonyl)amino](4-chlorophenyl)acetic acid;benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-;
PSA 75.63000
LogP 3.38130

N-Boc-2-(4'-chlorophenyl)-DL-glycine Specification

The N-Boc-2-(4'-chlorophenyl)-DL-glycine, with the cas registry number 209525-73-5, has the systematic name of [(tert-butoxycarbonyl)amino](4-chlorophenyl)acetic acid. And the molecular formula of the chemical is C₁₃H₁₆ClNO₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 70.76 cm³; (15)Molar Volume: 224.4 cm³; (16)Polarizability: 28.05×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 219.2 °C; (20)Enthalpy of Vaporization: 73.33 kJ/mol; (21)Boiling Point: 438.8 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(cc1)C(NC(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
(3)InChIKey: ZZONJNNLTAGSHB-UHFFFAOYAV

Product Name

N-BOC-2-(4''-CHLOROPHENYL)-DL-GLYCINE

N-Boc-2-(4'-chlorophenyl)-DL-glycine Specification

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