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67568-30-3

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Basic Information
CAS No.: 67568-30-3
Name: 3-Aminoquinoxaline-2-carboxamide
Article Data: 6
Molecular Structure:
Molecular Structure of 67568-30-3 (3-Aminoquinoxaline-2-carboxamide)
Formula: C9H8N4O
Molecular Weight: 188.189
Synonyms: Quinoxalinecarboxamide, 3-amino-;
Density: 1.436 g/cm3
Boiling Point: 403.8 °C at 760 mmHg
Flash Point: 198 °C
PSA: 94.89000
LogP: 1.59240
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Specification

The 3-Aminoquinoxaline-2-carboxamide, with the CAS registry number 67568-30-3, is also known as 2-Quinoxalinecarboxamide, 3-amino-. This chemical's molecular formula is C9H8N4O and molecular weight is 188.19. What's more, its systematic name is 3-Aminoquinoxaline-2-carboxamide.

Physical properties about 3-Aminoquinoxaline-2-carboxamide are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.84; (6)ACD/BCF (pH 7.4): 33.85; (7)ACD/KOC (pH 5.5): 432.86; (8)ACD/KOC (pH 7.4): 432.99; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.751; (14)Molar Refractivity: 53.44 cm3; (15)Molar Volume: 130.9 cm3; (16)Polarizability: 21.18×10-24 cm3; (17)Surface Tension: 86.6 dyne/cm; (18)Density: 1.436 g/cm3; (19)Flash Point: 198 °C; (20)Enthalpy of Vaporization: 65.52 kJ/mol; (21)Boiling Point: 403.8 °C at 760 mmHg; (22)Vapour Pressure: 9.88E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1nc2ccccc2nc1N)N
(2) InChI: InChI=1/C9H8N4O/c10-8-7(9(11)14)12-5-3-1-2-4-6(5)13-8/h1-4H,(H2,10,13)(H2,11,14)
(3) InChIKey: VLZNCHUOPLEEDT-UHFFFAOYAW