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| CAS No.: | 7137-97-5 |
|---|---|
| Name: | 2-VALERYLPYRIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H13NO |
| Molecular Weight: | 163.219 |
| Synonyms: | 1-Pentanone,1-(2-pyridyl)- (7CI,8CI);1-(2-Pyridyl)-1-pentanone;Butyl 2-pyridyl ketone;1-(pyridin-2-yl)pentan-1-one;1-Pentanone, 1-(2-pyridyl)-;1-Pentanone, 1-(2-pyridinyl)-; |
| Density: | 0.997 g/cm3 |
| Boiling Point: | 248.7 °C at 760 mmHg |
| Flash Point: | 110.6 °C |
| PSA: | 29.96000 |
| LogP: | 2.45450 |
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- Total:14 Page 1 of 1 1
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Specification
The 1-(pyridin-2-yl)pentan-1-one, with the CAS registry number 7137-97-5, has the systematic name of 1-(pyridin-2-yl)pentan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H13NO.
The characteristics of 1-(pyridin-2-yl)pentan-1-one are as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.87; (6)ACD/BCF (pH 7.4): 43.87; (7)ACD/KOC (pH 5.5): 521.28; (8)ACD/KOC (pH 7.4): 521.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 48.27 cm3; (15)Molar Volume: 163.7 cm3; (16)Polarizability: 19.13×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 0.997 g/cm3; (19)Flash Point: 110.6 °C; (20)Enthalpy of Vaporization: 48.59 kJ/mol; (21)Boiling Point: 248.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0239 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ncccc1)CCCC
(2)InChI: InChI=1/C10H13NO/c1-2-3-7-10(12)9-6-4-5-8-11-9/h4-6,8H,2-3,7H2,1H3
(3)InChIKey: DGBHHRPKPZCABG-UHFFFAOYAY