Guanidine,N-(4-chlorophenyl)-N'-cyano- (1482-62-8)

The 1-(4-Chlorophenyl)-3-cyanoguanidine, with CAS registry number 1482-62-8, belongs to the following product category: Benzene series. Its systematic name and its IUPAC name are the same, which is 2-(4-chlorophenyl)-1-cyanoguanidine. And its classification code is Drug / Therapeutic Agent. What's more, its EINECS is 216-043-5.

Physical properties of 1-(4-Chlorophenyl)-3-cyanoguanidine: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.17; (6)ACD/BCF (pH 7.4): 13.17; (7)ACD/KOC (pH 5.5): 220.25; (8)ACD/KOC (pH 7.4): 220.25; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.63 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 51.4 cm³; (15)Molar Volume: 145.1 cm³; (16)Polarizability: 20.37×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Enthalpy of Vaporization: 58.37 kJ/mol; (19)Vapour Pressure: 8.74E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(/N=C(\N)NC#N)cc1
(2)InChI: InChI=1/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)
(3)InChIKey: JMEJOUCPQDFPFK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)
(5)Std. InChIKey: JMEJOUCPQDFPFK-UHFFFAOYSA-N

The toxicity data is as follows: