Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)- |
EINECS | N/A |
CAS No. | 61160-18-7 | Density | 1.17 g/cm3 |
PSA | 42.09000 | LogP | 2.26230 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methyl-3-(benzyloxy)-4-pyridone;3-Benzyloxy-2-methyl-1H-pyridin-4-one;3-Benzyloxy-2-methyl-4(1H)pyridone; |
Article Data | 24 |
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