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2,4-Dimethyl-5-pyrimidinol

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Name

2,4-Dimethyl-5-pyrimidinol

EINECS N/A
CAS No. 412003-95-3 Density 1.162 g/cm3
PSA 46.01000 LogP 0.79900
Solubility N/A Melting Point N/A
Formula C6H8N2O Boiling Point 219.737 °C at 760 mmHg
Molecular Weight 124.14 Flash Point 86.694 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 412003-95-3 (5-Pyrimidinol, 2,4-dimethyl- (9CI)) Hazard Symbols N/A
Synonyms

2,4-dimethylpyrimidin-5-ol

 

2,4-Dimethyl-5-pyrimidinol Specification

The 5-Pyrimidinol,2,4-dimethyl-, with the CAS registry number 412003-95-3, belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H8N2O and molecular weight is 124.14. What's more, its systematic name is called 2,4-Dimethyl-5-pyrimidinol.

Physical properties about 5-Pyrimidinol,2,4-dimethyl- are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 22.74; (8)ACD/KOC (pH 7.4): 4.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.01 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 33.967 cm3;(15)Molar Volume: 106.861 cm3; (16) Polarizability: 13.466×10-24cm3; (17)Surface Tension: 51.216 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 86.694 °C; (20)Enthalpy of Vaporization: 47.472 kJ/mol; (21)Boiling Point: 219.737 °C at 760 mmHg; (22)Vapour Pressure: 0.079 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cnc(n1)C)O
(2) InChI: InChI=1S/C6H8N2O/c1-4-6(9)3-7-5(2)8-4/h3,9H,1-2H3
(3) InChIKey: NJRAXBYJSOFRQV-UHFFFAOYSA-N

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