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Name |
4-Pyrimidineethanol |
EINECS | 604-604-1 |
CAS No. | 68121-32-4 | Density | 1.168 g/cm3 |
PSA | 46.01000 | LogP | 0.01140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H8N2O | Boiling Point | 251.8 °C at 760 mmHg |
Molecular Weight | 124.142 | Flash Point | 106.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Pyrimidin-4-yl)ethanol; |
The 4-Pyrimidineethanol, with the CAS registry number 68121-32-4, is also known as 2-(Pyrimidin-4-yl)ethanol. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H8N2O and molecular weight is 124.1405. What's more, its IUPAC name is 2-Pyrimidin-4-ylethanol.
Physical properties about 4-Pyrimidineethanol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.35; (5)ACD/KOC (pH 7.4): 5.35; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 46.01 Å2; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 33.51 cm3; (12)Molar Volume: 106.2 cm3; (13)Polarizability: 13.28×10-24 cm3; (14)Surface Tension: 54.7 dyne/cm; (15)Density: 1.168 g/cm3; (16)Flash Point: 106.1 °C; (17)Enthalpy of Vaporization: 51.68 kJ/mol; (18)Boiling Point: 251.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0105 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCc1ccncn1
(2) InChI: InChI=1/C6H8N2O/c9-4-2-6-1-3-7-5-8-6/h1,3,5,9H,2,4H
(3) InChIKey: BOVUIYOURRNFKZ-UHFFFAOYAM