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Pyrazinecarboxylic acid, 3-amino-5-methyl- (7CI,8CI,9CI)

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Name

Pyrazinecarboxylic acid, 3-amino-5-methyl- (7CI,8CI,9CI)

EINECS N/A
CAS No. 6761-50-8 Density 1.431 g/cm3
PSA 89.10000 LogP 0.64660
Solubility N/A Melting Point 211 °C
Formula C6H7N3O2 Boiling Point 387.7 °C at 760 mmHg
Molecular Weight 153.14 Flash Point 188.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6761-50-8 (Pyrazinecarboxylic  acid,  3-amino-5-methyl-  (7CI,8CI,9CI)) Hazard Symbols N/A
Synonyms

Pyrazinecarboxylicacid, 3-amino-5-methyl- (7CI,8CI,9CI);Pyrazinoic acid, 3-amino-5-methyl-(6CI);3-Amino-5-methyl-2-pyrazinecarboxylic acid;NSC 129568;

Article Data 10

Pyrazinecarboxylic acid, 3-amino-5-methyl- (7CI,8CI,9CI) Specification

The Pyrazinecarboxylic acid, 3-amino-5-methyl- (7CI,8CI,9CI) is an organic compound with the formula C6H7N3O2. The IUPAC name of this chemical is 3-amino-5-methylpyrazine-2-carboxylic acid and the CAS registry number is 6761-50-8. In addition, the molecular weight is 153.13868. 

The other characteristics of Pyrazinecarboxylic acid, 3-amino-5-methyl- (7CI,8CI,9CI) can be summarized as: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.28; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.32 Å2; (11)Index of Refraction: 1.637; (12)Molar Refractivity: 38.42 cm3; (13)Molar Volume: 106.9 cm3; (14)Polarizability: 15.23×10-24 cm3; (15)Surface Tension: 81.2 dyne/cm; (16)Enthalpy of Vaporization: 67.17 kJ/mol; (17)Vapour Pressure: 1.05E-06 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 9; (20)Exact Mass: 153.053826; (21)MonoIsotopic Mass: 153.053826; (22)Topological Polar Surface Area: 89.1; (23)Heavy Atom Count: 11; (24)Complexity: 162.

 People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)c1ncc(nc1N)C
2. InChI:InChI=1/C6H7N3O2/c1-3-2-8-4(6(10)11)5(7)9-3/h2H,1H3,(H2,7,9)(H,10,11)
3. InChIKey:VUWIQUHYWDRRGC-UHFFFAOYAE
4. Std. InChI:InChI=1S/C6H7N3O2/c1-3-2-8-4(6(10)11)5(7)9-3/h2H,1H3,(H2,7,9)(H,10,11)
5. Std. InChIKey:VUWIQUHYWDRRGC-UHFFFAOYSA-N

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