N-Boc-(4'-Chlorophenyl)glycine supplier

Name
N-Boc-(4'-Chlorophenyl)glycine
EINECS
CAS No. 53994-85-7
Article Data12
CAS DataBase
Density 1.272g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆ClNO₄
Boiling Point 438.8 °C at 760 mmHg
Molecular Weight 285.727
Flash Point 219.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneaceticacid, 4-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(R)- (9CI);N-(tert-Butoxycarbonyl)-D-2-(4-chlorophenyl)glycine;
PSA 75.63000
LogP 3.38130

N-Boc-(4'-Chlorophenyl)glycine Specification

The N-Boc-(4'-Chlorophenyl)glycine with the CAS number 53994-85-7 is also called Benzeneacetic acid,4-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-. The systematic name is [(tert-butoxycarbonyl)amino](4-chlorophenyl)acetic acid. Its molecular formula is C₁₃H₁₆ClNO₄.

The properties of the chemical are: (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)Enthalpy of Vaporization: 73.33 kJ/mol; (19)Vapour Pressure: 1.78×10^-8 mmHg at 25°C.

You can still convert the following datas into 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-(4'-Chlorophenyl)glycine

N-Boc-(4'-Chlorophenyl)glycine Specification

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