1H-Pyrazole-5-methanamine,1-methyl- (863548-52-1)

The 1-Methyl-1H-pyrazole-5-methanamine, with the cas registry number of 863548-52-1, is also known as 1-(1-Methyl-1H-pyrazol-5-yl)methanamine and 1H-Pyrazole-5-methanamine, 1-methyl-. This chemical's molecular formula is C₅H₉N₃ and formula weight is 111.14. What's more, its systematic name is called 1-(1-Methyl-1H-pyrazol-5-yl)methanamine.

Physical properties about this chemical are: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 31.77 cm³; (15)Molar Volume: 95.5 cm³; (16)Surface Tension: 44 dyne/cm; (17)Density: 1.16 g/cm³; (18)Flash Point: 86.7 °C; (19)Enthalpy of Vaporization: 45.62 kJ/mol; (20)Boiling Point: 219.8 °C at 760 mmHg; (21)Vapour Pressure: 0.117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(n1C)CN;
(2)InChI: InChI=1/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3;
(3)InChIKey: XNTFQMKXUFFUQO-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3;
(5)Std. InChIKey: XNTFQMKXUFFUQO-UHFFFAOYSA-N.