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Boc-N'-(2-chloro-Cbz)-D-lysine

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Name

Boc-N'-(2-chloro-Cbz)-D-lysine

EINECS N/A
CAS No. 57096-11-4 Density 1.236 g/cm3
PSA 113.96000 LogP 4.49620
Solubility N/A Melting Point N/A
Formula C19H27ClN2O6 Boiling Point 608.3 °C at 760 mmHg
Molecular Weight 414.886 Flash Point 321.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 57096-11-4 (Boc-N'-(2-chloro-Cbz)-D-lysine) Hazard Symbols IrritantXi
Synonyms

N2-(tert-butoxycarbonyl)-N6-{[(2-chlorobenzyl)oxy]carbonyl}-D-lysine;D-lysine, N6-[[(2-chlorophenyl)methoxy]carbonyl]-N2-[(1,1-dimethylethoxy)carbonyl]-;N2-(tert-Butoxycarbonyl)-N6-{[(2-chlorobenzyl)oxy]carbonyl}-D-lysine;(2R)-2-{[(tert-butoxy)carbonyl]amino}-6-({[(2-chlorophenyl)methoxy]carbonyl}amino)hexanoic acid;Boc-N'-(2-chloro-Cbz)-D-lysine;Boc-D-Lys(2-Cl-Z)-OH;Nα-Boc-Nε-(2-chloro-Z)-D-lysine;

Article Data 2

Boc-N'-(2-chloro-Cbz)-D-lysine Specification

The Boc-N'-(2-chloro-Cbz)-D-lysine, with the CAS registry number 57096-11-4, has the systematic name of N2-(tert-butoxycarbonyl)-N6-{[(2-chlorobenzyl)oxy]carbonyl}-D-lysine. It belongs to the following product categories: Amino Acids; Lysine [Lys, K]; Boc-Amino Acids and Derivative. And it should be stored at -20°C. The molecular formula of the chemical is C19H27ClN2O6.

The characteristics of Boc-N'-(2-chloro-Cbz)-D-lysine are as followings: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 4.6; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 85.38 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 103.88 cm3; (15)Molar Volume: 335.4 cm3; (16)Polarizability: 41.18×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.236 g/cm3; (19)Flash Point: 321.7 °C; (20)Enthalpy of Vaporization: 95.03 kJ/mol; (21)Boiling Point: 608.3 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-15 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccccc1COC(=O)NCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C19H27ClN2O6/c1-19(2,3)28-18(26)22-15(16(23)24)10-6-7-11-21-17(25)27-12-13-8-4-5-9-14(13)20/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)/t15-/m1/s1
(3)InChIKey: ATUMDPHEFWGCJF-OAHLLOKOBE

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