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Name |
Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- (9CI) |
EINECS | N/A |
CAS No. | 59576-31-7 | Density | 1.016 g/cm3 |
PSA | 29.96000 | LogP | 1.90100 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11NO | Boiling Point | 241.2 °C at 760 mmHg |
Molecular Weight | 149.18974 | Flash Point | 105.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4,6-Dimethylpyridin-2-yl)ethanone; |
The CAS registry number of Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- (9CI) is 59576-31-7. It belongs to the product category of Acetylgroup. In addition, its molecular formula is C9H11NO and molecular weight is 149.18974. Its systematic name is called 1-(4,6-dimethylpyridin-2-yl)ethanone.
Physical properties about Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- (9CI) are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.03; (6)ACD/BCF (pH 7.4): 13.49; (7)ACD/KOC (pH 5.5): 216.42; (8)ACD/KOC (pH 7.4): 224.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 44.02 cm3; (14)Molar Volume: 146.7 cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Density: 1.016 g/cm3; (17)Flash Point: 105.7 °C; (18)Enthalpy of Vaporization: 47.81 kJ/mol; (19)Boiling Point: 241.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0365 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(nc(C)c1)C(C)=O
(2)InChI: InChI=1/C9H11NO/c1-6-4-7(2)10-9(5-6)8(3)11/h4-5H,1-3H3
(3)InChIKey: IWZFETYQIYPLIE-UHFFFAOYAE
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