1H-Pyrazole-3-ethanamine,a-methyl- (1017783-22-0)

The 1-(1H-Pyrazol-3-yl)propan-2-amine, with the cas registry number 1017783-22-0, has the systematic name as itself. And the molecular formula of the chemical is C₆H₁₁N₃.

The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 54.7 Å²; (10)Index of Refraction: 1.55; (11)Molar Refractivity: 36.45 cm³; (12)Molar Volume: 114.3 cm³; (13)Polarizability: 14.45×10^-24cm³; (14)Surface Tension: 49.8 dyne/cm; (15)Density: 1.094 g/cm³; (16)Flash Point: 148.5 °C; (17)Enthalpy of Vaporization: 52 kJ/mol; (18)Boiling Point: 281.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00362 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(Cc1cc[nH]n1)N
(2)InChI: InChI=1/C6H11N3/c1-5(7)4-6-2-3-8-9-6/h2-3,5H,4,7H2,1H3,(H,8,9)
(3)InChIKey: KCYGESYSBXWUJF-UHFFFAOYAZ