2-Propylimidazole

The 2-Propylimidazole with CAS registry number of 50995-95-4 is also called 1H-Imidazole,2-propyl-. The IUPAC name is 2-propyl-1H-imidazole. Its EINECS registry number is 256-902-1. In addition, the formula is C₆H₁₀N₂ and the molecular weight is 110.157. It belongs to the classes of Imidazoles and Imidaxoles. It is used as raw materials in drugs and also can be used  in organic synthesis.

Physical properties about this chemical are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.52; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.84; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 32.95 cm³; (15)Molar Volume: 110.3 cm³; (16)Polarizability: 13.06 ×10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Density: 0.998 g/cm³; (19)Flash Point: 131.1 °C; (20)Enthalpy of Vaporization: 50.4 kJ/mol; (21)Boiling Point: 286 °C at 760 mmHg; (22)Vapour Pressure: 0.00466 mmHg at 25°C.

Preparation of 2-Propylimidazole: it can be prepared by butyraldehyde and glyoxal. This reaction will need reagent NH₃. The reaction time is 2 hours at temperature of 80 °C. The yield is about 40%.

Uses of 2-Propylimidazole: it can react with iodomethane to get 1-methyl-2-propyl-1H-imidazole. The reaction time is 8 hours at temperature of 30 °C. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You shoud wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnc1CCC
(2)InChI: InChI=1/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
(3)InChIKey: MKBBSFGKFMQPPC-UHFFFAOYAT