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Name |
2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide |
EINECS | N/A |
CAS No. | 23190-84-3 | Density | 1.553 g/cm3 |
PSA | 100.73000 | LogP | 1.73188 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6N4O2 | Boiling Point | 571.516 °C at 760 mmHg |
Molecular Weight | 202.172 | Flash Point | 299.443 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Amino-2-quinoxalinecarbonitrile1,4-dioxide;KIH 402;TX 402; |
Article Data | 1 |
The 2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide is an organic compound with the formula C9H6N4O2. The IUPAC name of this chemical is 4-Hydroxy-3-imino-1-oxidoquinoxalin-1-ium-2-carbonitrile. With the CAS registry number 23190-84-3, it is also named as 3-Aminoquinoxaline-2-carbonitrile-N1,N4-dioxide. The category of the product is pharmacetical. Besides, its molecular weight is 202.1695.
The physical properties of 2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide are: (1)ACD/LogP: -1.59; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 100.73 Å2; (10)Index of Refraction: 1.737; (11)Molar Refractivity: 52.367 cm3; (12)Molar Volume: 130.188 cm3; (13)Polarizability: 20.76×10-24 cm3; (14)Surface Tension: 77.398 dyne/cm; (15)Density: 1.553 g/cm3; (16)Flash Point: 299.443 °C; (17)Enthalpy of Vaporization: 85.695 kJ/mol; (18)Boiling Point: 571.516 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]2c1ccccc1[n+]([O-])c(C#N)c2N
(2)InChI: InChI=1/C9H6N4O2/c10-5-8-9(11)13(15)7-4-2-1-3-6(7)12(8)14/h1-4H,11H2
(3)InChIKey: ZGVCESZATUMTIM-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H6N4O2/c10-5-8-9(11)13(15)7-4-2-1-3-6(7)12(8)14/h1-4H,11H2
(5)Std. InChIKey: ZGVCESZATUMTIM-UHFFFAOYSA-N