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

Name
Pyrazinecarboxylic acid, 3-amino-5-methyl- (7CI,8CI,9CI)
EINECS
CAS No. 6761-50-8
Article Data10
CAS DataBase
Density 1.431 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 89.10000
LogP 0.64660

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

Product Name

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

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

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