2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide supplier

Name
3-AMINO-2-QUINOXALINECARBONITRILE 1,4-DIOXIDE
EINECS
CAS No. 23190-84-3
Article Data1
CAS DataBase
Density 1.553 g/cm³
Solubility
Melting Point
Formula C₉H₆N₄O₂
Boiling Point 571.516 °C at 760 mmHg
Molecular Weight 202.172
Flash Point 299.443 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-2-quinoxalinecarbonitrile1,4-dioxide;KIH 402;TX 402;
PSA 100.73000
LogP 1.73188

2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide Specification

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

Product Name

3-AMINO-2-QUINOXALINECARBONITRILE 1,4-DIOXIDE

2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide Specification

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