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CAS No.: | 90764-90-2 |
---|---|
Name: | 3-METHYL-1H-INDAZOL-5-AMINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H9N3 |
Molecular Weight: | 147.18 |
Synonyms: | 1H-Indazole,5-amino-3-methyl- (6CI,7CI);(3-Methyl-1H-indazol-5-yl)amine;3-Methyl-1H-indazol-5-amine;5-Amino-3-methylindazole; |
Density: | 1.295 g/cm3 |
Melting Point: | 232-233 °C |
Boiling Point: | 209.7 °C at 760 mmHg |
Flash Point: | 102.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 54.70000 |
LogP: | 2.03470 |
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The 3-Methyl-1H-indazol-5-ylamine, with the CAS registry number 90764-90-2, is also known as 1H-Indazol-5-amine, 3-methyl-. It belongs to the product category of Indazole. This chemical's molecular formula is C8H9N3 and molecular weight is 147.18. Its IUPAC name is called 3-methyl-2H-indazol-5-amine.
Physical properties of 3-Methyl-1H-indazol-5-ylamine: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.58; (6)ACD/BCF (pH 7.4): 2.68; (7)ACD/KOC (pH 5.5): 67.92; (8)ACD/KOC (pH 7.4): 70.57; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.736; (13)Molar Refractivity: 45.68 cm3; (14)Molar Volume: 113.6 cm3; (15)Surface Tension: 69.6 dyne/cm; (16)Density: 1.295 g/cm3; (17)Flash Point: 102.7 °C; (18)Enthalpy of Vaporization: 44.6 kJ/mol; (19)Boiling Point: 209.7 °C at 760 mmHg; (20)Vapour Pressure: 0.2 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C=C(C=CC2=NN1)N
(2)InChI: InChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: HQMYDRGGBUKAKP-UHFFFAOYSA-N