Name: Ethanone, 1-(2,6-dimethyl-3-pyridinyl)- (9CI)
SKU: 1721-25-1

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Basic Information

Molecular Structure:
CAS No.:	1721-25-1
Name:	Ethanone, 1-(2,6-dimethyl-3-pyridinyl)- (9CI)
Article Data:	1

Formula:	C₉H₁₁NO
Molecular Weight:	149.192
Synonyms:	Ketone,2,6-dimethyl-3-pyridyl methyl (6CI,7CI);1-(2,6-Dimethylpyridin-3-yl)ethanone;2,6-Dimethyl-3-acetylpyridine;3-Acetyl-2,6-lutidine;
Density:	1.017 g/cm³
Melting Point:	34-35 °C
Boiling Point:	240.172 °C at 760 mmHg
Flash Point:	105.075 °C
PSA:	29.96000
LogP:	1.90100

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Specification

The 1-(2,6-Dimethyl-3-pyridinyl)ethanone, with the CAS registry number 1721-25-1, is also known as 2,6-Dimethyl-3-acetylpyridine. This chemical's molecular formula is C₉H₁₁NO and molecular weight is 149.19. What's more, its systematic name is 1-(2,6-Dimethyl-3-pyridinyl)ethanone.

Physical properties of 1-(2,6-Dimethyl-3-pyridinyl)ethanone are: (1)ACD/LogP: -0.059; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 17.90; (8)ACD/KOC (pH 7.4): 22.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 44.022 cm³; (15)Molar Volume: 146.738 cm³; (16)Polarizability: 17.452×10^-24cm³; (17)Surface Tension: 37.0 dyne/cm; (18)Density: 1.017 g/cm³; (19)Flash Point: 105.075 °C; (20)Enthalpy of Vaporization: 47.708 kJ/mol; (21)Boiling Point: 240.172 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1ccc(C)nc1C
(2)Std. InChI: InChI=1S/C9H11NO/c1-6-4-5-9(8(3)11)7(2)10-6/h4-5H,1-3H3
(3)Std. InChIKey: QICFGQJIWDJROU-UHFFFAOYSA-N