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1-Butanone, 1-(2-pyridinyl)-

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Name

1-Butanone, 1-(2-pyridinyl)-

EINECS N/A
CAS No. 22971-32-0 Density 1.013 g/cm3
PSA 29.96000 LogP 2.06440
Solubility N/A Melting Point N/A
Formula C9H11NO Boiling Point 230.4 °C at 760 mmHg
Molecular Weight 149.192 Flash Point 98.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 22971-32-0 (1-(PYRIDIN-2-YL)BUTAN-1-ONE) Hazard Symbols N/A
Synonyms

1-(Pyridin-2-yl)butan-1-one;

Article Data 21

1-Butanone, 1-(2-pyridinyl)- Specification

The 1-Butanone, 1-(2-pyridinyl)-, with the CAS registry number 22971-32-0, is also known as 1-(2-Pyridinyl)-1-butanone. This chemical's molecular formula is C9H11NO and molecular weight is 149.19. What's more, its systematic name is called 1-(Pyridin-2-yl)butan-1-one.

Physical properties about 1-Butanone, 1-(2-pyridinyl)- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.31; (6)ACD/BCF (pH 7.4): 17.31; (7)ACD/KOC (pH 5.5): 267.92; (8)ACD/KOC (pH 7.4): 267.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 43.63 cm3; (15)Molar Volume: 147.2 cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 1.013 g/cm3; (18)Flash Point: 98.6 °C; (19)Enthalpy of Vaporization: 46.7 kJ/mol; (20)Boiling Point: 230.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0661 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ncccc1)CCC
(2) InChI: InChI=1/C9H11NO/c1-2-5-9(11)8-6-3-4-7-10-8/h3-4,6-7H,2,5H2,1H3
(3) InChIKey: IWVHZRXWFIWOMH-UHFFFAOYAE

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