Ethanone,1-(5-methyl-2-pyrazinyl)- supplier

Name
Ethanone, 1-(5-methylpyrazinyl)-
EINECS
CAS No. 22047-27-4
Article Data13
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point 55-56 °C
Formula C₇H₈N₂O
Boiling Point 229.3 °C at 760 mmHg
Molecular Weight 136.153
Flash Point 95.2 °C
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Molecular Structure
Hazard Symbols
Synonyms Ethanone,1-(5-methylpyrazinyl)- (9CI);Ketone, methyl 5-methylpyrazinyl (8CI);1-(5-Methyl-2-pyrazinyl)ethanone;1-(5-Methylpyrazin-2-yl)ethan-1-one;2-Acetyl-5-methylpyrazine;2-Methyl-5-acetylpyrazine;
PSA 42.85000
LogP 0.98760

Ethanone,1-(5-methyl-2-pyrazinyl)- Specification

The Ethanone,1-(5-methyl-2-pyrazinyl)-, with the CAS registry number 22047-27-4, is also known as 2-Acetyl-5-methylpyrazine. This chemical's molecular formula is C₇H₈N₂O and molecular weight is 136.15. What's more, its systematic name is 1-(5-methylpyrazin-2-yl)ethanone.

Physical properties of Ethanone,1-(5-methyl-2-pyrazinyl)- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.74; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 51.84; (8)ACD/KOC (pH 7.4): 51.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 37.28 cm³; (15)Molar Volume: 123.6 cm³; (16)Polarizability: 14.78×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 46.59 kJ/mol; (21)Boiling Point: 229.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0701 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=C(N=C1)C(=O)C
(2)InChI: InChI=1S/C7H8N2O/c1-5-3-9-7(4-8-5)6(2)10/h3-4H,1-2H3
(3)InChIKey: LPQFLJXNMCVMCO-UHFFFAOYSA-N

Product Name

Ethanone, 1-(5-methylpyrazinyl)-

Ethanone,1-(5-methyl-2-pyrazinyl)- Specification

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