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

Name
1-(PYRIDIN-2-YL)BUTAN-1-ONE
EINECS
CAS No. 22971-32-0
Article Data21
CAS DataBase
Density 1.013 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO
Boiling Point 230.4 °C at 760 mmHg
Molecular Weight 149.192
Flash Point 98.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Pyridin-2-yl)butan-1-one;
PSA 29.96000
LogP 2.06440

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

Product Name

1-(PYRIDIN-2-YL)BUTAN-1-ONE

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

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