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2961-50-4

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Basic Information
CAS No.: 2961-50-4
Name: 4-N-AMYLPYRIDINE
Article Data: 20
Molecular Structure:
Molecular Structure of 2961-50-4 (4-N-AMYLPYRIDINE)
Formula: C10H15N
Molecular Weight: 149.236
Synonyms: 1-(4-Pyridyl)pentane;4-Amylpyridine;4-Pentylpyridine;4-n-Pentylpyridine;NSC 4694;
EINECS: 220-994-1
Density: 0.904 g/cm3
Boiling Point: 226.844 °C at 760 mmHg
Flash Point: 97.868 °C
PSA: 12.89000
LogP: 2.81430
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Specification

The Pyridine, 4-pentyl-, with the CAS registry number 2961-50-4, is also known as NSC4694. Its EINECS registry number is 220-994-1. This chemical's molecular formula is C10H15N and molecular weight is 149.2328. Its IUPAC name is called 4-pentylpyridine. The product should be sealed and stored in cool, dry place.

Physical properties of Pyridine, 4-pentyl-: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 2.668; (3)ACD/LogD (pH 7.4): 3.346; (4)ACD/BCF (pH 5.5): 42.667; (5)ACD/BCF (pH 7.4): 203.164; (6)ACD/KOC (pH 5.5): 323.343; (7)ACD/KOC (pH 7.4): 1539.633; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.491; (11)Molar Refractivity: 47.792 cm3; (12)Molar Volume: 164.995 cm3; (13)Surface Tension: 33.644 dyne/cm; (14)Density: 0.904 g/cm3; (15)Flash Point: 97.868 °C; (16)Enthalpy of Vaporization: 44.456 kJ/mol; (17)Boiling Point: 226.844 °C at 760 mmHg; (18)Vapour Pressure: 0.12 mmHg at 25°C.

Uses of Pyridine, 4-pentyl-: it can be used to produce 4-pentyl-piperidine at pressure of 1500.1. This reaction will need reagent H2 and solvent ethanol with reaction time of 3 hours. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC1=CC=NC=C1
(2)InChI: InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3
(3)InChIKey: ABJVUPUJUGBUMM-UHFFFAOYSA-N