(S)-N-Boc-(2'-chlorophenyl)glycine supplier

Name
(S)-N-BOC-(2'-CHLOROPHENYL)GLYCINE
EINECS
CAS No. 225918-60-5
Article Data4
CAS DataBase
Density 1.272 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆ClNO₄
Boiling Point 431.5 °C at 760 mmHg
Molecular Weight 285.727
Flash Point 214.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-N-Boc-(2-chlorophenyl)glycine;2-(tert-butoxycarbonyl(2-chlorophenyl)amino)acetic acid;(2S)-2-{[(tert-butoxy)carbonyl]aMino}-2-(2-chlorophenyl)acetic acid;(S)-Boc-2-(2-Chlorophenyl)glycine
PSA 75.63000
LogP 3.38130

(S)-N-Boc-(2'-chlorophenyl)glycine Specification

The cas register number of (S)-N-Boc-(2'-chlorophenyl)glycine is 225918-60-5. It also can be called as Benzeneacetic acid,2-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)- and the Systematic name about this chemical is (2S)-[(tert-butoxycarbonyl)amino](2-chlorophenyl)ethanoic acid.

Physical properties about (S)-N-Boc-(2'-chlorophenyl)glycine are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): -0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.58; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84Å²; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 70.76 cm³; (14)Molar Volume: 224.4 cm³; (15)Polarizability: 28.05x10^-24cm³; (16)Surface Tension: 46.7 dyne/cm; (17)Enthalpy of Vaporization: 72.43 kJ/mol; (18)Boiling Point: 431.5 °C at 760 mmHg; (19)Vapour Pressure: 3.27E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1[C@H](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)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
(3)InChIKey: XPFJZGJBRMTXCE-JTQLQIEIBX
(4)Std. InChI: InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
(5)Std. InChIKey: XPFJZGJBRMTXCE-JTQLQIEISA-N

Product Name

(S)-N-BOC-(2'-CHLOROPHENYL)GLYCINE

(S)-N-Boc-(2'-chlorophenyl)glycine Specification

Related Products

Hot Products