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20815-27-4

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Basic Information
CAS No.: 20815-27-4
Name: 2-Heptylpyridine
Article Data: 13
Molecular Structure:
Molecular Structure of 20815-27-4 (2-Heptylpyridine)
Formula: C12H19N
Molecular Weight: 177.29
Synonyms: AIDS020364;
EINECS: 244-056-6
Density: 0.895 g/cm3
Boiling Point: 244.9 °C at 760 mmHg
Flash Point: 112.3 °C
PSA: 12.89000
LogP: 3.59450
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Specification

The 2-Heptylpyridine, with the CAS registry number 20815-27-4, is also known as AIDS020364. Its EINECS registry number is 244-056-6. This chemical's molecular formula is C12H19N and molecular weight is 177.28596. Its IUPAC name is called 2-heptylpyridine.

Physical properties of 2-Heptylpyridine: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 3.79; (3)ACD/LogD (pH 7.4): 4.36; (4)ACD/BCF (pH 5.5): 320.95; (5)ACD/BCF (pH 7.4): 1199.16; (6)ACD/KOC (pH 5.5): 1474.34; (7)ACD/KOC (pH 7.4): 5508.53; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 57.05 cm3; (12)Molar Volume: 198 cm3; (13)Surface Tension: 33.6 dyne/cm; (14)Density: 0.895 g/cm3; (15)Flash Point: 112.3 °C; (16)Enthalpy of Vaporization: 46.24 kJ/mol; (17)Boiling Point: 244.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0464 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC1=CC=CC=N1
(2)InChI: InChI=1S/C12H19N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7-8,10-11H,2-6,9H2,1H3
(3)InChIKey: DYCPESWJKDONHC-UHFFFAOYSA-N