6-METHYL-1H-INDAZOL-5-YLAMINE

The CAS register number of 1H-Indazol-5-amine,6-methyl- is 81115-45-9. It also can be called as 5-Amino-6-methylindazole and the systematic name about this chemical is 6-methyl-1H-indazol-5-amine. The molecular formula about this chemical is C₈H₉N₃ and molecular weight is 147.18. It belongs to the Pharmacetical.

Physical properties about 1H-Indazol-5-amine,6-methyl- are: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.11; (4)ACD/BCF (pH 5.5): 3.86; (5)ACD/BCF (pH 7.4): 4.09; (6)ACD/KOC (pH 5.5): 89.97; (7)ACD/KOC (pH 7.4): 95.38; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.06Ų; (12)Index of Refraction: 1.736; (13)Molar Refractivity: 45.68 cm³; (14)Molar Volume: 113.6 cm³; (15)Polarizability: 18.1x10^-24cm³; (16)Surface Tension: 69.6 dyne/cm; (17)Enthalpy of Vaporization: 62.14 kJ/mol; (18)Boiling Point: 374 °C at 760 mmHg; (19)Vapour Pressure: 8.6E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-methyl-5-nitro-1(2)H-indazole. This reaction will need reagent iron and acetic acid.

Uses of 1H-Indazol-5-amine,6-methyl-: it can be used to produce N-(1-acetyl-6-methyl-1H-indazol-5-yl)-acηmide with acetic acid anhydride at temperature of 70 ℃. This reaction will need solvent acetic acid with reaction time of 2 hours. The yield is about 91%.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cc1cc(c(cc1n2)C)N
(2)InChI: InChI=1/C8H9N3/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: VAFXGOUJAXXPOQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H9N3/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,9H2,1H3,(H,10,11)
(5)Std. InChIKey: VAFXGOUJAXXPOQ-UHFFFAOYSA-N