CAS No.2087-41-4,GLYCYLGLYCINE ETHYL ESTER HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2087-41-4
Name:	GLYCYLGLYCINE ETHYL ESTER HYDROCHLORIDE
Article Data:	1

Formula:	C₆H₁₃ClN₂O₃
Molecular Weight:	196.634
Synonyms:	Glycine,N-glycyl-, ethyl ester, hydrochloride (6CI,7CI);Glycine, N-glycyl-, ethylester, monohydrochloride (8CI);Glycine, glycyl-, ethyl ester,monohydrochloride (9CI);Ethyl 2-(2-aminoacetamido)acetate hydrochloride;Ethylglycylglycinate hydrochloride;Glycylglycine ethyl ester hydrochloride;N-Glycylglycine ethyl ester hydrochloride;H-Gly-Gly-OEt·HCl;
Density:	1.138g/cm3
Boiling Point:	305 °C at 760 mmHg
Flash Point:	138.2 °C
PSA:	81.42000
LogP:	0.51760

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Specification

The Glycine, glycyl-, ethylester, hydrochloride (1:1), with CAS registry number 2087-41-4, has the systematic name of ethyl glycylglycinate hydrochloride. Besides this, it is also called Glycylglycine ethyl ester hydrochloride. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₆H₁₃ClN₂O₃.

Physical properties of Glycine, glycyl-, ethylester, hydrochloride (1:1): (1)ACD/LogP: -0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.24; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.85 Å²; (13)Flash Point: 138.2 °C; (14)Enthalpy of Vaporization: 54.54 kJ/mol; (15)Boiling Point: 305 °C at 760 mmHg; (16)Vapour Pressure: 0.000846 mmHg at 25°C.

Preparation: this chemical can be prepared by Ethyl N-t-butoxycarbonylglycylglycine. This reaction will need reagent 4M HCl and solvent dioxane. The reaction time is 30 min. The yield is about 95%.

Uses of Glycine, glycyl-, ethylester, hydrochloride (1:1): it can be used to produce N-diazoacetyl-glycine ethyl ester. This reaction will need reagents NaNO₂, aq. Na₂CO₃.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)OCC)CN.Cl
(2)InChI: InChI=1/C6H12N2O3.ClH/c1-2-11-6(10)4-8-5(9)3-7;/h2-4,7H2,1H3,(H,8,9);1H
(3)InChIKey: DNIFIBGXDGNBHN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H12N2O3.ClH/c1-2-11-6(10)4-8-5(9)3-7;/h2-4,7H2,1H3,(H,8,9);1H
(5)Std. InChIKey: DNIFIBGXDGNBHN-UHFFFAOYSA-N