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Glycine, N-(2-cyanoethyl)-, methyl ester

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Name

Glycine, N-(2-cyanoethyl)-, methyl ester

EINECS N/A
CAS No. 44915-39-1 Density 1.066 g/cm3
PSA 62.12000 LogP 0.05358
Solubility N/A Melting Point N/A
Formula C6H10N2O2 Boiling Point 257 °C at 760 mmHg
Molecular Weight 142.158 Flash Point 109.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 44915-39-1 ((2-CYANO-ETHYLAMINO)-ACETIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

(2-Cyano-ethylamino)-acetic acid methyl ester;

Article Data 5

Glycine, N-(2-cyanoethyl)-, methyl ester Specification

The Glycine, N-(2-cyanoethyl)-, methyl ester, with the CAS registry number 44915-39-1, is also known as (2-Cyano-ethylamino)-acetic acid methyl ester. This chemical's molecular formula is C6H10N2O2 and molecular weight is 142.1558. What's more, its systematic name is Methyl N-(2-cyanoethyl)glycinate.

Physical properties about Glycine, N-(2-cyanoethyl)-, methyl ester are: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.31; (8)ACD/KOC (pH 7.4): 14.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 53.33 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 35.12 cm3; (15)Molar Volume: 133.2 cm3; (16)Polarizability: 13.92×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.066 g/cm3; (19)Flash Point: 109.2 °C; (20)Enthalpy of Vaporization: 49.45 kJ/mol; (21)Boiling Point: 257 °C at 760 mmHg; (22)Vapour Pressure: 0.0149 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCNCC(=O)OC
(2) InChI: InChI=1/C6H10N2O2/c1-10-6(9)5-8-4-2-3-7/h8H,2,4-5H2,1H3
(3) InChIKey: GWBTUTBQZWQICM-UHFFFAOYAA

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