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The 1H-Indazol-4-amine,1-methyl-, with the CAS registry number 77894-69-0, has systematic name of 1-methyl-1H-indazol-4-amine. And its IUPAC name is 1-methylindazol-4-amine. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C8H9N3.
The characteristics of 1H-Indazol-4-amine,1-methyl- are as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.667; (8)Molar Refractivity: 43.05 cm3; (9)Molar Volume: 115.5 cm3; (10)Polarizability: 17.06×10-24cm3; (11)Surface Tension: 49.8 dyne/cm; (12)Density: 1.27 g/cm3; (13)Flash Point: 148.3 °C; (14)Enthalpy of Vaporization: 56.34 kJ/mol; (15)Boiling Point: 321.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000295 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2cc1c(cccc1n2C)N
(2)InChI: InChI=1/C8H9N3/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,9H2,1H3
(3)InChIKey: FVIZXLDFWPPPDX-UHFFFAOYAT