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| CAS No.: | 156912-12-8 |
|---|---|
| Name: | 1H-Pyrazolo[4,3-c]quinolin-3-amine |
| Molecular Structure: | |
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| Formula: | C10H8N4 |
| Molecular Weight: | 184.1973 |
| Density: | 1.477 g/cm3 |
| Boiling Point: | 501.067 °C at 760 mmHg |
| Flash Point: | 289.163 °C |
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Specification
The 1H-Pyrazolo[4,3-c]quinolin-3-amine, with the CAS registry number 156912-12-8, is also known as 1H-Pyrazolo[4,3-c]quinolin-3-ylamine. This chemical's molecular formula is C10H8N4 and molecular weight is 184.1973. What's more, its systematic name which is also called 1H-Pyrazolo[4,3-c]quinolin-3-amine.
Physical properties about 1H-Pyrazolo[4,3-c]quinolin-3-amine are: (1)ACD/LogP: 1.41; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): 0; (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): 12; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.59 Å2; (13)Index of Refraction: 1.873; (14)Molar Refractivity: 56.79 cm3; (15)Molar Volume: 124.715 cm3; (16)Polarizability: 22.513×10-24 cm3; (17)Surface Tension: 94.332 dyne/cm; (18)Density: 1.477 g/cm3; (19)Flash Point: 289.163 °C; (20)Enthalpy of Vaporization: 76.981 kJ/mol; (21)Boiling Point: 501.067 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2c1ccccc1c3c(c2)c(nn3)N
(2) InChI: InChI=1/C10H8N4/c11-10-7-5-12-8-4-2-1-3-6(8)9(7)13-14-10/h1-5H,(H3,11,13,14)
(3) InChIKey: PEPIIKRUOOZAIE-UHFFFAOYAZ