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CAS No.: | 50593-24-3 |
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Name: | 1-METHYL-1H-INDAZOL-5-AMINE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H9N3 |
Molecular Weight: | 147.18 |
Synonyms: | 1-Methyl-1H-indazol-5-ylamine; |
Density: | 1.27 g/cm3 |
Melting Point: | 142-144°C |
Boiling Point: | 321.614 °C at 760 mmHg |
Flash Point: | 148.307 °C |
Hazard Symbols: | Xi |
PSA: | 43.84000 |
LogP: | 1.73670 |
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The 5-Amino-1-methyl-1H-indazole is an organic compound with the formula C8H9N3. The IUPAC name of this chemical is 1-methylindazol-5-amine. With the CAS registry number 50593-24-3, it is also named as 1H-Indazol-5-amine, 1-methyl-. The product's category is Pharmacetical.
Physical properties about 5-Amino-1-methyl-1H-indazole are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 0.63; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1.77; (5)ACD/BCF (pH 7.4): 1.83; (6)ACD/KOC (pH 5.5): 51.96; (7)ACD/KOC (pH 7.4): 53.62; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.06 Å2; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 43.05 cm3; (14)Molar Volume: 115.5 cm3; (15)Polarizability: 17.06×10-24cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 148.3 °C; (19)Enthalpy of Vaporization: 56.34 kJ/mol; (20)Boiling Point: 321.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000295 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2cc1cc(ccc1n2C)N
(2)InChI: InChI=1/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3
(3)InChIKey: PYOFNPHTKBSXOM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3
(5)Std. InChIKey: PYOFNPHTKBSXOM-UHFFFAOYSA-N