CAS No.44981-94-4,N-(2-Cyanoethyl) GlycineEthyl Ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	44981-94-4
Name:	N-(2-Cyanoethyl) GlycineEthyl Ester
Article Data:	18

Formula:	C₇H₁₂N₂O₂
Molecular Weight:	156.184
Synonyms:	EthylN-(2-cyanoethyl)glycinate;N-Cyanoethylglycineethyl ester;
Density:	1.042 g/cm³
Boiling Point:	272 °C at 760 mmHg
Flash Point:	118.3 °C
PSA:	62.12000
LogP:	0.44368

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Specification

The Glycine, N-(2-cyanoethyl)-, ethyl ester, with the CAS registry number 44981-94-4, is also known as N-(β-Cyanoethyl)glycine ethyl ester. This chemical's molecular formula is C₇H₁₂N₂O₂ and molecular weight is 156.18238. What's more, its systematic name is Ethyl N-(2-cyanoethyl)glycinate.

Physical properties about Glycine, N-(2-cyanoethyl)-, ethyl ester are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.1; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.07; (8)ACD/KOC (pH 7.4): 28.39; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 39.76 cm³; (15)Molar Volume: 149.7 cm³; (16)Polarizability: 15.76×10^-24 cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.042 g/cm³; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 51.03 kJ/mol; (21)Boiling Point: 272 °C at 760 mmHg; (22)Vapour Pressure: 0.00622 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCNCC(=O)OCC
(2) InChI: InChI=1/C7H12N2O2/c1-2-11-7(10)6-9-5-3-4-8/h9H,2-3,5-6H2,1H3
(3) InChIKey: SBPUJTNHAUBDKF-UHFFFAOYAU