N-(2-CYANOETHYL)GLYCINE

The Glycine,N-(2-cyanoethyl)-, with the CAS registry number 3088-42-4 and EINECS registry number 221-418-1, has the systematic name of N-(2-cyanoethyl)glycine. It is a kind of white solid, and belongs to the following product categories: Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. And the molecular formula of the chemical is C₅H₈N₂O₂.

The characteristics of Glycine,N-(2-cyanoethyl)- are as followings: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -3.44; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 30.28 cm³; (15)Molar Volume: 107.8 cm³; (16)Polarizability: 12×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.187 g/cm³; (19)Flash Point: 161.3 °C; (20)Enthalpy of Vaporization: 64.5 kJ/mol; (21)Boiling Point: 343.1 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-05 mmHg at 25°C. 

Uses of Glycine,N-(2-cyanoethyl)-: It can be used to produce N-(2-cyano-ethyl)-N-nitroso-glycine. This reaction will need reagent aq. HCl and NaNO₂, and the yield is about 91%.   

You should be cautious while dealing with this chemical. It is harmful by inhalation and in contact with skin. Therefore, you had better do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CCCNCC(=O)O
(2)InChI: InChI=1/C5H8N2O2/c6-2-1-3-7-4-5(8)9/h7H,1,3-4H2,(H,8,9)
(3)InChIKey: KZUBZCHAWPDYQX-UHFFFAOYAS