4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)- supplier

Name
3-(BENZYLOXY)-2-METHYL-4(1H)-PYRIDINONE
EINECS
CAS No. 61160-18-7
Article Data24
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 171-173 °C
Formula C₁₃H₁₃NO₂
Boiling Point 389.5 °C at 760 mmHg
Molecular Weight 215.252
Flash Point 189.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-3-(benzyloxy)-4-pyridone;3-Benzyloxy-2-methyl-1H-pyridin-4-one;3-Benzyloxy-2-methyl-4(1H)pyridone;
PSA 42.09000
LogP 2.26230

4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)- Specification

The 4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)-, with the CAS registry number 61160-18-7, is also known as 3-Benzyloxy-2-methyl-1H-pyridin-4-one. This chemical's molecular formula is C₁₃H₁₃NO₂ and molecular weight is 215.25. What's more, its systematic name is called 3-(Benzyloxy)-2-methylpyridin-4(1H)-one.

Physical properties about 4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.57; (6)ACD/BCF (pH 7.4): 7.6; (7)ACD/KOC (pH 5.5): 148.1; (8)ACD/KOC (pH 7.4): 148.57; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 61.99 cm³; (15)Molar Volume: 183.7 cm³; (16)Surface Tension: 45 dyne/cm; (17)Density: 1.17 g/cm³; (18)Flash Point: 189.3 °C; (19)Enthalpy of Vaporization: 63.88 kJ/mol; (20)Boiling Point: 389.5 °C at 760 mmHg; (21)Vapour Pressure: 2.85E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2C(\OCc1ccccc1)=C(/N/C=C/2)C
(2) InChI: InChI=1/C13H13NO2/c1-10-13(12(15)7-8-14-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
(3) InChIKey: WBKGCSWOAILTET-UHFFFAOYAB

Product Name

3-(BENZYLOXY)-2-METHYL-4(1H)-PYRIDINONE

4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)- Specification

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