N,N-Dimethyl-N-(3-chlorophenyl)guanidine

The N, N-Dimethyl-N-(3-chlorophenyl)guanidine, with the CAS registry number 13636-32-3, is also known as Guanidine, N'-(3-chlorophenyl)-N, N-dimethyl-. This chemical's molecular formula is C₉H₁₂ClN₃ and molecular weight is 197.66. What's more, its IUPAC name is 2-(3-Chlorophenyl)-1, 1-dimethylguanidine. In addition, this chemical's classification codes are Agricultural Chemical; Fungicide, Bactericide, Wood Preservative.

Physical properties about N, N-Dimethyl-N-(3-chlorophenyl)guanidine are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.92; (8)ACD/KOC (pH 7.4): 6.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.84 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 54.62 cm³; (15)Molar Volume: 168.7 cm³; (16)Polarizability: 21.65×10^-24 cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 315.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000443 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(N(/C(=N/C)N)C)ccc1
(2) InChI: InChI=1/C9H12ClN3/c1-12-9(11)13(2)8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H2,11,12)
(3) InChIKey: HYFCECMVLXFRFV-UHFFFAOYAA

The toxicity data is as follows: