1-Phenyl-1H-pyrazol-4-methylamine (400877-10-3)

The 1-Phenyl-1H-pyrazol-4-methylamine with its cas register number is 400877-10-3. It also can be called as (1-Phenyl-1H-pyrazol-4-yl)methylamine and the Systematic name about this chemical is 1-(1-phenyl-1H-pyrazol-4-yl)methanamine.

Physical properties about 1-Phenyl-1H-pyrazol-4-methylamine are: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): -2.02; (3)ACD/LogD (pH 7.4): -0.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.28; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 21.06Ų; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 52.45 cm³; (14)Molar Volume: 148.7 cm³; (15)Polarizability: 20.79x10^-24cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Enthalpy of Vaporization: 55.58 kJ/mol; (18)Vapour Pressure: 0.00046 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(cn1c2ccccc2)CN
(2)InChI: InChI=1/C10H11N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6,11H2
(3)InChIKey: GSCUJPMBXNFQAF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H11N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6,11H2
(5)Std. InChIKey: GSCUJPMBXNFQAF-UHFFFAOYSA-N