Product Name

  • Name

    (2-CYANO-ETHYLAMINO)-ACETIC ACID METHYL ESTER

  • EINECS
  • CAS No. 44915-39-1
  • Article Data5
  • CAS DataBase
  • Density 1.066 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H10N2O2
  • Boiling Point 257 °C at 760 mmHg
  • Molecular Weight 142.158
  • Flash Point 109.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 44915-39-1 ((2-CYANO-ETHYLAMINO)-ACETIC ACID METHYL ESTER)
  • Hazard Symbols
  • Synonyms (2-Cyano-ethylamino)-acetic acid methyl ester;
  • PSA 62.12000
  • LogP 0.05358

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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