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Name |
2-Pyrazineethanol, α-phenyl- |
EINECS | N/A |
CAS No. | 36914-69-9 | Density | 1.194 g/cm3 |
PSA | 46.01000 | LogP | 1.75270 |
Solubility | N/A | Melting Point |
88-90 °C |
Formula | C12H12N2O | Boiling Point | 328.3 °C at 760 mmHg |
Molecular Weight | 200.24 | Flash Point | 152.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-Phenyl-2-(2-pyrazinyl)ethanol;Pyrazineethanol,α-phenyl- (6CI,9CI); |
Article Data | 5 |
The 2-Pyrazineethanol, α-phenyl-, with the CAS registry number of 36914-69-9, is also known as 1-Phenyl-2-(2-pyrazinyl)ethanol. This chemical's molecular formula is C12H12N2O and molecular weight is 200.24. What's more, its IUPAC name is 1-Phenyl-2-pyrazin-2-ylethanol. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Pyrazineethanol, α-phenyl- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.01 Å2; (7)Index of Refraction: 1.608; (8)Molar Refractivity: 58 cm3; (9)Molar Volume: 167.6 cm3; (10)Surface Tension: 56.5 dyne/cm; (11)Density: 1.194 g/cm3; (12)Flash Point: 152.4 °C; (13)Enthalpy of Vaporization: 60.24 kJ/mol; (14)Boiling Point: 328.3 °C at 760 mmHg; (15)Vapour Pressure: 7.7E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)Cc2nccnc2
(2) InChI: InChI=1/C12H12N2O/c15-12(10-4-2-1-3-5-10)8-11-9-13-6-7-14-11/h1-7,9,12,15H,8H2
(3) InChIKey: GCLRAFFYSKHBNT-UHFFFAOYAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01640, |