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Basic Information
CAS No.: 36914-71-3
Name: 1-PHENYL-2-PYRIMIDIN-4-YL ETHANOL
Molecular Structure:
Molecular Structure of 36914-71-3 (1-PHENYL-2-PYRIMIDIN-4-YL ETHANOL)
Formula: C12H12N2O
Molecular Weight: 200.24
Synonyms: 1-Phenyl-2-(pyrimidin-4-yl)ethanol;
Density: 1.194 g/cm3
Melting Point: 115-117 °C
Boiling Point: 339.7 °C at 760 mmHg
Flash Point: 159.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 46.01000
LogP: 1.75270
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Specification

The 4-Pyrimidineethanol, a-phenyl-, with the CAS registry number 36914-71-3, is also known as 1-Phenyl-2-(pyrimidin-4-yl)ethanol. This chemical's molecular formula is C12H12N2O and molecular weight is 200.24. What's more, its IUPAC name is 1-Phenyl-2-pyrimidin-4-ylethanol. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Pyrimidineethanol, a-phenyl- are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 1.35; (7)ACD/KOC (pH 5.5): 43.16; (8)ACD/KOC (pH 7.4): 43.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 58 cm3; (15)Molar Volume: 167.6 cm3; (16)Polarizability: 22.99×10-24 cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.194 g/cm3; (19)Flash Point: 159.2 °C; (20)Enthalpy of Vaporization: 61.55 kJ/mol; (21)Boiling Point: 339.7 °C at 760 mmHg; (22)Vapour Pressure: 3.51E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)Cc2ncncc2
(2) InChI: InChI=1/C12H12N2O/c15-12(10-4-2-1-3-5-10)8-11-6-7-13-9-14-11/h1-7,9,12,15H,8H2
(3) InChIKey: JRVGCMBZIWTFKD-UHFFFAOYAF