Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Methylpyrazine-2-carboxylic acid |
EINECS | N/A |
CAS No. | 5521-61-9 | Density | 1.319 g/cm3 |
PSA | 63.08000 | LogP | 0.48320 |
Solubility | N/A | Melting Point |
138-140ºC |
Formula | C6H6N2O2 | Boiling Point | 302.8 °C at 760 mmHg |
Molecular Weight | 138.126 | Flash Point | 136.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazinecarboxylicacid, 6-methyl- (7CI,8CI,9CI);2-Methylpyrazine-6-carboxylic acid;6-Methyl-2-pyrazinecarboxylic acid;6-methylpyrazine-2-carboxylic acid;2-pyrazinecarboxylic acid, 6-methyl-;Pyrazinecarboxylic acid, 6-methyl-; |
Article Data | 8 |
The 6-Methylpyrazine-2-carboxylic acid, with the CAS registry number 5521-61-9, has the systematic name and IUPAC name of 6-methylpyrazine-2-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H6N2O2.
The characteristics of 6-Methylpyrazine-2-carboxylic acid are as followings: (1)ACD/LogP: -0.90; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 52.08 Å2; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 34.19 cm3; (13)Molar Volume: 104.6 cm3; (14)Polarizability: 13.55×10-24cm3; (15)Surface Tension: 63.3 dyne/cm; (16)Density: 1.319 g/cm3; (17)Flash Point: 136.9 °C; (18)Enthalpy of Vaporization: 57.34 kJ/mol; (19)Boiling Point: 302.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000428 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cncc(C)n1
(2)InChI: InChI=1/C6H6N2O2/c1-4-2-7-3-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
(3)InChIKey: YDSUJIRXXROKQG-UHFFFAOYAX