DCVJ

The Propanedinitrile,2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]-, with the CAS registry number 58293-56-4, is also known as Malononitrile, (2,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizin-9-ylmethylene)-. This chemical's molecular formula is C₁₆H₁₅N₃ and molecular weight is 249.31. What's more, its systematic name is (2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)propanedinitrile.

Physical properties of Propanedinitrile,2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 7.4): 1.805; (6)ACD/KOC (pH 5.5): 53.079; (7)ACD/KOC (pH 7.4): 53.122; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 50.82 Ų; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 72.403 cm³; (14)Molar Volume: 202.386 cm³; (15)Polarizability: 28.703×10^-24cm³; (16)Surface Tension: 62.438 dyne/cm; (17)Density: 1.232 g/cm³; (18)Flash Point: 232.819 °C; (19)Enthalpy of Vaporization: 77.307 kJ/mol; (20)Boiling Point: 503.758 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc2c3c1CCCN3CCC2)C=C(C#N)C#N
(2)Std. InChI: InChI=1S/C16H15N3/c17-10-13(11-18)7-12-8-14-3-1-5-19-6-2-4-15(9-12)16(14)19/h7-9H,1-6H2
(3)Std. InChIKey: LROAUBRDKLVBCP-UHFFFAOYSA-N

The toxicity data is as follows: