2-Hydroxy-5-methylpyrazine supplier

Name
2-HYDROXY-5-METHYLPYRAZINE
EINECS
CAS No. 20721-17-9
Article Data7
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 68-69 °C(Solv: ethyl ether (60-29-7))
Formula C₅H₆N₂O
Boiling Point 376.2 °C at 760 mmHg
Molecular Weight 110.115
Flash Point 181.3 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinol,5-methyl- (8CI);3,4-Dihydro-6-methyl-3-oxopyrazine;5-Methyl-2(1H)-pyrazone;5-Methyl-2-pyrazinol;NSC 143658;
PSA 46.01000
LogP 0.49060

2-Hydroxy-5-methylpyrazine Specification

The 2(1H)-Pyrazinone,5-methyl-, with CAS registry number 20721-17-9, has the systematic name of 5-methylpyrazin-2(1H)-one. Besides this, it is also called 2-Hydroxy-5-methylpyrazine. And the chemical formula of this chemical is C₅H₆N₂O. Its molecular weight is 110.1139.

Physical properties of 2(1H)-Pyrazinone,5-methyl-: (1)ACD/LogP: -0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.9; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.7; (8)ACD/KOC (pH 7.4): 7.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 29.8 cm³; (15)Molar Volume: 89.9 cm³; (16)Polarizability: 11.81×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 64.83 kJ/mol; (21)Boiling Point: 376.2 °C at 760 mmHg; (22)Vapour Pressure: 3.41E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1N/C=C(\N=C\1)C
(2)InChI: InChI=1/C5H6N2O/c1-4-2-7-5(8)3-6-4/h2-3H,1H3,(H,7,8)
(3)InChIKey: MJJNWPBBFIRYCW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H6N2O/c1-4-2-7-5(8)3-6-4/h2-3H,1H3,(H,7,8)
(5)Std. InChIKey: MJJNWPBBFIRYCW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1300mg/kg (1300mg/kg)		Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.

Product Name

2-HYDROXY-5-METHYLPYRAZINE

2-Hydroxy-5-methylpyrazine Specification

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