5-Pyrimidinol,4,6-dimethyl- supplier

Name
5-Pyrimidinol, 4,6-dimethyl- (6CI,9CI)
EINECS
CAS No. 70345-38-9
Article Data2
CAS DataBase
Density 1.161g/cm³
Solubility
Melting Point 138-139 °C
Formula C₆H₈N₂O
Boiling Point 237.1 °C at 760 mmHg
Molecular Weight 124.142
Flash Point 97.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,6-Dimethyl-5-hydroxypyrimidine;4,6-Dimethyl-5-pyrimidinol;5-Hydroxy-4,6-dimethylpyrimidine;
PSA 46.01000
LogP 0.79900

5-Pyrimidinol,4,6-dimethyl- Specification

The 5-Pyrimidinol,4,6-dimethyl-, with CAS registry number 70345-38-9, belongs to the following product categories: Pyrimidine. It has the systematic name of 4,6-dimethylpyrimidin-5-ol. Besides this, it is also called 5-Hydroxy-4,6-dimethylpyrimidine. And the chemical formula of this chemical is C₆H₈N₂O.

Physical properties of 5-Pyrimidinol,4,6-dimethyl-: (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): 18.04; (5)ACD/KOC (pH 7.4): 4.12; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 46.01 Å²; (10)Index of Refraction: 1.548; (11)Molar Refractivity: 33.96 cm³; (12)Molar Volume: 106.8 cm³; (13)Polarizability: 13.46×10^-24cm³; (14)Surface Tension: 51.2 dyne/cm; (15)Density: 1.161 g/cm³; (16)Flash Point: 97.2 °C; (17)Enthalpy of Vaporization: 49.32 kJ/mol; (18)Boiling Point: 237.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0297 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ncnc(C)c1O
(2)InChI: InChI=1/C6H8N2O/c1-4-6(9)5(2)8-3-7-4/h3,9H,1-2H3
(3)InChIKey: STTRDEPUOJMYIB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H8N2O/c1-4-6(9)5(2)8-3-7-4/h3,9H,1-2H3
(5)Std. InChIKey: STTRDEPUOJMYIB-UHFFFAOYSA-N

Product Name

5-Pyrimidinol, 4,6-dimethyl- (6CI,9CI)

5-Pyrimidinol,4,6-dimethyl- Specification

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