Name: 3-N-HEXYLPYRIDINE
SKU: 6311-92-8

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Basic Information

Molecular Structure:
CAS No.:	6311-92-8
Name:	3-N-HEXYLPYRIDINE
Article Data:	13

Formula:	C₁₁H₁₇N
Molecular Weight:	163.263
Synonyms:	3-Hexylpyridine;NSC 42647;3-N-Hexylpyridine;
Density:	0.899 g/cm³
Boiling Point:	242.1 °C at 760 mmHg
Flash Point:	110.1 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	12.89000
LogP:	3.20440

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Specification

The Pyridine, 3-hexyl-, with the CAS registry number 6311-92-8, is also known as 3-N-Hexylpyridine. This chemical's molecular formula is C₁₁H₁₇N and molecular weight is 163.26. What's more, its systematic name is 3-hexylpyridine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of Pyridine, 3-hexyl- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 104.54; (6)ACD/BCF (pH 7.4): 468.45; (7)ACD/KOC (pH 5.5): 625.48; (8)ACD/KOC (pH 7.4): 2802.8; (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: 110.1 °C; (20)Enthalpy of Vaporization: 45.97 kJ/mol; (21)Boiling Point: 242.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0538 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-hexyl-piperidine at the temperature of 380 - 400 °C. This reaction will need catalysts 3% Ni, 15% Cu, 3% Cr, 3% Na₂SO₄/SiO₂. The yield is about 41%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC1=CN=CC=C1
(2)InChI: InChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3
(3)InChIKey: LWEQIZSFZFUWIE-UHFFFAOYSA-N