Pyridine,4-hexyl- supplier | CasNO.27876-24-0

Name
4-hexylpyridine
EINECS 248-707-5
CAS No. 27876-24-0
Article Data16
CAS DataBase
Density 0.899 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇N
Boiling Point 246 °C at 760 mmHg
Molecular Weight 163.263
Flash Point 113.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Pyridyl)hexane;4-Hexylpyridine;pyridine, 4-hexyl-;
PSA 12.89000
LogP 3.20440

Pyridine,4-hexyl- Specification

The Pyridine,4-hexyl-, with the CAS registry number 27876-24-0 and EINECS registry number 248-707-5, has the systematic name and IUPAC name of 4-hexylpyridine. And the molecular formula of the chemical is C₁₁H₁₇N.

The characteristics of Pyridine,4-hexyl- are as followings: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 81.88; (6)ACD/BCF (pH 7.4): 461.05; (7)ACD/KOC (pH 5.5): 489.92; (8)ACD/KOC (pH 7.4): 2758.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 52.42 cm³; (15)Molar Volume: 181.5 cm³; (16)Polarizability: 20.78×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 0.899 g/cm³; (19)Flash Point: 113.2 °C; (20)Enthalpy of Vaporization: 46.35 kJ/mol; (21)Boiling Point: 246 °C at 760 mmHg; (22)Vapour Pressure: 0.0437 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1ccc(cc1)CCCCCC
(2)InChI: InChI=1/C11H17N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7-10H,2-6H2,1H3
(3)InChIKey: YWSGFNIDQLIDGL-UHFFFAOYAZ

Product Name

4-hexylpyridine

Pyridine,4-hexyl- Specification

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