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21381-61-3

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Basic Information
CAS No.: 21381-61-3
Name: 2-(4-PYRIDYL) CYCLO FORMANIZINE
Article Data: 18
Molecular Structure:
Molecular Structure of 21381-61-3 (2-(4-PYRIDYL) CYCLO FORMANIZINE)
Formula: C8H9N3
Molecular Weight: 147.18
Synonyms: Pyridine,4-(2-imidazolin-2-yl)- (8CI);2-(4-Pyridinyl)-2-imidazoline;2-(4-Pyridyl)-2-imidazoline;2-(4-Pyridyl)imidazoline;HAJ 1006;4,5-Dihydro-2-(pyridin-4-yl)-1H-imidazole;
Density: 1.24 g/cm3
Boiling Point: 277.8 °C at 760 mmHg
Flash Point: 121.8 °C
PSA: 37.28000
LogP: 0.19580
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Specification

The Pyridine, 4-(4, 5-dihydro-1H-imidazol-2-yl)-, with the CAS registry number 21381-61-3, is also known as 2-(4-Pyridyl)-2-imidazoline. This chemical's molecular formula is C8H9N3 and molecular weight is 147.18. What's more, its IUPAC name is 4-(4, 5-Dihydro-1H-imidazol-2-yl)pyridine.

Physical properties about Pyridine, 4-(4, 5-dihydro-1H-imidazol-2-yl)- are: (1)D/LogD (pH 5.5): -2.93; (2)ACD/LogD (pH 7.4): -2.77; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 28.49 Å2; (11)Index of Refraction: 1.656; (12)Molar Refractivity: 43.47 cm3; (13)Molar Volume: 118.3 cm3; (14)Polarizability: 17.23×10-24 cm3; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.24 g/cm3; (17)Flash Point: 121.8 °C; (18)Enthalpy of Vaporization: 51.64 kJ/mol; (19)Boiling Point: 277.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00442 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2ccc(/C1=N/CCN1)cc2
(2) InChI: InChI=1/C8H9N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-4H,5-6H2,(H,10,11)
(3) InChIKey: MWJNDHSPXOXMIH-UHFFFAOYAD