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| CAS No.: | 5424-05-5 |
|---|---|
| Name: | 2-AMINOQUINOXALINE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.164 |
| Synonyms: | 2-Aminoquinoxaline; |
| Density: | 1.292 g/cm3 |
| Melting Point: | 155-157℃ |
| Boiling Point: | 297.6 °C at 760 mmHg |
| Flash Point: | 159 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/38-20/21/22 |
| Safety: | 26-36/37-15 |
| PSA: | 51.80000 |
| LogP: | 1.79320 |
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Specification
The 2-Quinoxalinamine, with the CAS registry number 5424-05-5, is also known as 2-Aminoquinoxaline. This chemical's molecular formula is C8H7N3 and molecular weight is 145.16. What's more, both its IUPAC name and systematic name are the same which is called Quinoxalin-2-amine.
Physical properties about 2-Quinoxalinamine are: (1)ACD/LogP: 1.64; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.17; (6)ACD/BCF (pH 7.4): 10.33; (7)ACD/KOC (pH 5.5): 182.27; (8)ACD/KOC (pH 7.4): 185.13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 44.51 cm3; (15)Molar Volume: 112.2 cm3; (16)Surface Tension: 70.4 dyne/cm; (17)Density: 1.292 g/cm3; (18)Flash Point: 159 °C; (19)Enthalpy of Vaporization: 53.75 kJ/mol; (20)Boiling Point: 297.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00133 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c2ccccc2nc(c1)N
(2) InChI: InChI=1/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)
(3) InChIKey: YOWAEZWWQFSEJD-UHFFFAOYAP