The 1-Propene-1, 1, 3-tricarbonitrile, 2-amino-, with the CAS registry number of 868-54-2, is also known as 1, 1, 3-Tricyano-2-amino-1-propene and 2-Amino-1, 1, 3-tricyanopropene. Its EINECS registry number is 212-777-5. This chemical's molecular formula is C₆H₄N₄ and molecular weight is 132.12. What's more, its IUPAC name is called 2-Aminoprop-1-ene-1, 1, 3-tricarbonitrile.This chemical is a nootropic drug which mimics the function of nerve growth factor and increases the growth of nerves and tissue regeneration both in isolated tissues and in vivo.

Physical properties about 1-Propene-1, 1, 3-tricarbonitrile, 2-amino- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.24; (8)ACD/KOC (pH 7.4): 20.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.61 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 32.86 cm³; (15)Molar Volume: 104.6 cm³; (16)Polarizability: 13.02×10^-24 cm³; (17)Surface Tension: 71.6 dyne/cm; (18)Density: 1.262 g/cm³; (19)Flash Point: 311.8 °C; (20)Enthalpy of Vaporization: 88.28 kJ/mol; (21)Boiling Point: 591.9 °C at 760 mmHg; (22)Melting Point: 171-173 °C (lit. ); (23)Vapour Pressure: 5.54E-14 mmHg at 25°C.

Preparation: this chemical can be prepared by Malononitrile by heating 30 min. The reaction needs reagent KOH and solvent Ethanol. The yield is about 87%.

Uses: (1) it is used as releasing oxygen inhibitors of light combination reaction; (2) it can be used to make plastics; (3) it is used to produce other chemicals. For example, it is used to produce C₁₆H₇N₆(1-)*C₄H₉N*H(1+) by reaction with Pyrrolidine and Benzylidene-malononitrile.

This reaction needs two steps, the reaction conditions are 1.) THF, CHCl₃, 35-40 °C, 45 min; 2.) THF, room temp., 1 h, reagent DDQ.

When you are dealing with this chemical, you should be very careful. The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes for it may cause damage to health.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCC(=C(/C#N)C#N)\N
(2) InChI: InChI=1/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2
(3) InChIKey: BNHGNFYPZNDLAF-UHFFFAOYAY

The toxicity data is as follows: