The Pyridine, 5-(2-butenyl)-2-methyl-, (E)- (9CI), with the CAS registry number 26091-11-2, is also known as Pyridine, 5-[(2E)-2-buten-1-yl]-2-methyl-. Its EINECS registry number is 247-451-1. This chemical's molecular formula is C10H13N and molecular weight is 147.22. What's more, its IUPAC name is 5-[(E)-But-2-enyl]-2-methylpyridine.
Physical properties about Pyridine, 5-(2-butenyl)-2-methyl-, (E)- (9CI) are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 13.08; (6)ACD/BCF (pH 7.4): 65.95; (7)ACD/KOC (pH 5.5): 136.36; (8)ACD/KOC (pH 7.4): 687.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 48.04 cm3; (15)Molar Volume: 158.3 cm3; (16)Polarizability: 19.04×10-24 cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 0.929 g/cm3; (19)Flash Point: 81.6 °C; (20)Enthalpy of Vaporization: 43.81 kJ/mol; (21)Boiling Point: 220.3 °C at 760 mmHg; (22)Vapour Pressure: 0.169 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(ccc1C)C/C=C/C
(2) InChI: InChI=1/C10H13N/c1-3-4-5-10-7-6-9(2)11-8-10/h3-4,6-8H,5H2,1-2H3/b4-3+
(3) InChIKey: BLUFNCNDYMJKFL-ONEGZZNKBL
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