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2057-43-4

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Basic Information
CAS No.: 2057-43-4
Name: 2-(3-pentenyl)pyridine
Molecular Structure:
Molecular Structure of 2057-43-4 (2-(3-pentenyl)pyridine)
Formula: C10H13N
Molecular Weight: 147.22
Synonyms: Pyridine,2-(3-pentenyl)- (6CI,7CI,9CI);2-(3-Pentenyl)pyridine;
EINECS: 218-157-0
Density: 0.928 g/cm3
Boiling Point: 217.5 °C at 760 mmHg
Flash Point: 82.8 °C
PSA: 12.89000
LogP: 2.59030
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Specification

The Pyridine, 2-(3-penten-1-yl)-, with the CAS registry number 2057-43-4, is also known as 2-(3-Pentenyl)pyridine. Its EINECS registry number is 218-157-0. This chemical's molecular formula is C10H13N and molecular weight is 147.22. What's more, its systematic name is 2-(Pent-3-en-1-yl)pyridine.

Physical properties about Pyridine, 2-(3-penten-1-yl)- are: (1)ACD/LogP: 2.86; (2) of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 30.51; (6)ACD/BCF (pH 7.4): 84.99; (7)ACD/KOC (pH 5.5): 298.42; (8)ACD/KOC (pH 7.4): 831.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 47.84 cm3; (15)Molar Volume: 158.6 cm3; (16)Polarizability: 18.96×10-24 cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.928 g/cm3; (19)Flash Point: 82.8 °C; (20)Enthalpy of Vaporization: 43.54 kJ/mol; (21)Boiling Point: 217.5 °C at 760 mmHg; (22)Vapour Pressure: 0.194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccccc1CCC=CC
(2) InChI: InChI=1/C10H13N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-3,5-6,8-9H,4,7H2,1H3
(3) InChIKey: SKHYVKHUYKQNJE-UHFFFAOYAY