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3-Aminopyrazine-2-carboxamide

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Name

3-Aminopyrazine-2-carboxamide

EINECS N/A
CAS No. 32587-10-3 Density 1.426 g/cm3
PSA 94.89000 LogP 0.43920
Solubility N/A Melting Point 239.3 °C
Formula C5H6N4O Boiling Point 375.8 °C at 760 mmHg
Molecular Weight 138.129 Flash Point 181.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 32587-10-3 (Pyrazinecarboxamide, 3-amino- (7CI,9CI)) Hazard Symbols N/A
Synonyms

Pyrazinamide,3-amino- (6CI);Pyrazinecarboxamide, 3-amino- (7CI,9CI);2-Amino-3-carbamoylpyrazine;2-Aminopyrazine-3-carboxamide;3-Aminopyrazincarboxamide;3-Aminopyrazine-2-carboxamide;NSC 131841;NSC241332;

Article Data 19

3-Aminopyrazine-2-carboxamide Specification

The systematic name about this chemical is 3-aminopyrazine-2-carboxamide. The CAS register number of 3-Aminopyrazine-2-carboxamide is 32587-10-3. It also can be called as 2-pyrazinecarboxamide, 3-amino-. Its molecular formula is C5H6N4O and molecular weight is 138.12734.

Physical properties about 3-Aminopyrazine-2-carboxamide are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.73; (6)ACD/BCF (pH 7.4): 3.73; (7)ACD/KOC (pH 5.5): 89.35; (8)ACD/KOC (pH 7.4): 89.36; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 35.6 cm3; (15)Molar Volume: 96.8 cm3; (16)Surface Tension: 87 dyne/cm; (17)Density: 1.426 g/cm3; (18)Flash Point: 181.1 °C; (19)Enthalpy of Vaporization: 62.34 kJ/mol; (20)Boiling Point: 375.8 °C at 760 mmHg; (21)Vapour Pressure: 7.56E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(c1nccnc1N)N
2.InChI:InChI=1/C5H6N4O/c6-4-3(5(7)10)8-1-2-9-4/h1-2H,(H2,6,9)(H2,7,10)
3.InChIKey:SFSMATGDLFHTHE-UHFFFAOYAH
4.Std. InChI:InChI=1S/C5H6N4O/c6-4-3(5(7)10)8-1-2-9-4/h1-2H,(H2,6,9)(H2,7,10)

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