1-(pyridin-2-yl)pentan-1-one supplier

Name
2-VALERYLPYRIDINE
EINECS
CAS No. 7137-97-5
Article Data3
CAS DataBase
Density 0.997 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO
Boiling Point 248.7 °C at 760 mmHg
Molecular Weight 163.219
Flash Point 110.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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)-;
PSA 29.96000
LogP 2.45450

1-(pyridin-2-yl)pentan-1-one 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

Product Name

2-VALERYLPYRIDINE

1-(pyridin-2-yl)pentan-1-one Specification

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