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| CAS No.: | 75907-74-3 |
|---|---|
| Name: | Pyrazinemethanol, 3,5,6-trimethyl- (6CI,9CI) |
| Article Data: | 43 |
| Molecular Structure: | |
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| Formula: | C8H12N2O |
| Molecular Weight: | 152.196 |
| Synonyms: | Pyrazinemethanol,3,5,6-trimethyl- (6CI,9CI);2-(Hydroxymethyl)-3,5,6-trimethylpyrazine;(3,5,6-trimethylpyrazin-2-yl)methanol;2-hydroxymethyl-3,5,6-trimethylpyrazine; |
| Density: | 1.099 g/cm3 |
| Melting Point: | 65 °C |
| Boiling Point: | 257.778 °C at 760 mmHg |
| Flash Point: | 109.701 °C |
| PSA: | 46.01000 |
| LogP: | 0.89410 |
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Specification
The 2-Pyrazinemethanol,3,5,6-trimethyl-, with the CAS registry number 75907-74-3, has the systematic name of (3,5,6-trimethylpyrazin-2-yl)methanol. And the molecular formula of this chemical is C8H12N2O. It belongs to the product categoru of Piperidine.
The physical properties of 2-Pyrazinemethanol,3,5,6-trimethyl- are as following: (1)ACD/LogP: 0.68; (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): 21; (6)ACD/KOC (pH 7.4): 21; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.01 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 43.361 cm3; (13)Molar Volume: 138.523 cm3; (14)Polarizability: 17.19×10-24cm3; (15)Surface Tension: 46.661 dyne/cm; (16)Density: 1.099 g/cm3; (17)Flash Point: 109.701 °C; (18)Enthalpy of Vaporization: 52.336 kJ/mol; (19)Boiling Point: 257.778 °C at 760 mmHg; (20)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(C)c(C)nc1CO
(2)InChI: InChI=1/C8H12N2O/c1-5-6(2)10-8(4-11)7(3)9-5/h11H,4H2,1-3H3
(3)InChIKey: LAXOCXPBJXIBHO-UHFFFAOYAA