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N6-Carbobenzoxy L-lysine N-carboxyanhydride

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Name

N6-Carbobenzoxy L-lysine N-carboxyanhydride

EINECS N/A
CAS No. 1676-86-4 Density 1.248 g/cm3
PSA 100.71000 LogP 1.56250
Solubility N/A Melting Point N/A
Formula C15H18N2O5 Boiling Point N/A
Molecular Weight 306.318 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1676-86-4 (N6-Carbobenzoxy-L-lysine N-Carboxyanhydride) Hazard Symbols N/A
Synonyms

Carbamic acid, [4-(2,5-dioxo-4-oxazolidinyl)butyl]-, benzyl ester, L- (8CI);Carbamic acid, [4-(2,5-dioxo-4-oxazolidinyl)butyl]-, phenylmethyl ester, (S)- (9CI);N6-Benzyloxycarbonyl-L-lysine N-carboxyanhydride;NCA-N-ε-benzyloxycarbonyl-L-lysine;Nε-Benzyloxycarbonyl-L-lysine N-carboxyanhydride;Nε-Benzyloxycarbonyl-L-lysine carboxyanhydride;Nε-Carbobenzoxylysine N-carboxy anhydride;Nε-Cbz-L-Lysine Nα-carboxyanhydride;ε-Benzyloxycarbonyl-L-lysine N-carboxyanhydride;

Article Data 79

N6-Carbobenzoxy L-lysine N-carboxyanhydride Specification

The N6-Carbobenzoxy L-lysine N-carboxyanhydride, with the CAS registry number 1676-86-4, is also known as ε-Benzyloxycarbonyl-L-lysine N-carboxyanhydride. It belongs to the product categories of Amino Acids & Derivatives; Aromatics; Chiral Reagents; Heterocycles. This chemical's molecular formula is C15H18N2O5 and molecular weight is 306.31. What's more, its systematic name is Benzyl N-[4-(2,5-dioxooxazolidin-4-yl)butyl]carbamate.

Physical properties of N6-Carbobenzoxy L-lysine N-carboxyanhydride are: (1)ACD/LogP: 1.641; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.40; (6)ACD/BCF (pH 7.4): 10.27; (7)ACD/KOC (pH 5.5): 185.99; (8)ACD/KOC (pH 7.4): 183.72; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 93.73 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 76.765 cm3; (15)Molar Volume: 245.386 cm3; (16)Polarizability: 30.432×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.248 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(CCCCNC(=O)OCc1ccccc1)C(=O)O2
(2)Std. InChI: InChI=1S/C15H18N2O5/c18-13-12(17-15(20)22-13)8-4-5-9-16-14(19)21-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,19)(H,17,20)
(3)Std. InChIKey: HLLIDIRDRPSCHN-UHFFFAOYSA-N

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