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4-Pyrimidineethanol

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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 Molecular Structure of 68121-32-4 (4-Pyrimidineethanol (6CI,9CI)) Hazard Symbols N/A
Synonyms

2-(Pyrimidin-4-yl)ethanol;

 

4-Pyrimidineethanol Specification

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

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