1H-Pyrrole-3-carbonitrile,2-amino- (755753-61-8)

The 2-Amino-1H-pyrrole-3-carbonitrile, with the cas registry number 755753-61-8, has other names like 1H-pyrrole-3-carbonitrile, 2-amino-. And it belongs to the product category which is amine.

The physical properties of this chemical are as follows: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 77; (8)ACD/KOC (pH 7.4): 77; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.6; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 28.862 cm³; (15)Molar Volume: 82.893 cm³; (16)Polarizability: 11.442 ×10^-24 cm³; (17)Surface Tension: 73.047 dyne/cm; (18)Density: 1.292 g/cm³; (19)Flash Point: 191.751 °C; (20)Enthalpy of Vaporization: 64.333 kJ/mol; (21)Boiling Point: 393.449 °C at 760 mmHg.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:N#Cc1ccnc1N
(2)InChI:InChI=1/C5H5N3/c6-3-4-1-2-8-5(4)7/h1-2,8H,7H2
(3)InChIKey:HGUUICKROVJTES-UHFFFAOYAY