1H-Imidazole-5-carboxaldehyde,2-ethyl- (83902-00-5)

The 2-Ethyl-4-formylimidazole, with the CAS registry number 83902-00-5, is also known as 2-Ethyl-1H-imidazole-5-carbaldehyde and 2-Ethylimidazole-4-carboxaldehyde. It belongs to the product categories of Aldehyde; Pharmacetical. This chemical's molecular formula is C₆H₈N₂O and molecular weight is 124.14. Its systematic name is called 2-Ethyl-1H-imidazole-5-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.01; (8)ACD/KOC (pH 7.4): 14.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 35.07 cm³; (14)Molar Volume: 105.4 cm³; (15)Surface Tension: 51.6 dyne/cm; (16)Density: 1.177 g/cm³; (17)Flash Point: 172.6 °C; (18)Enthalpy of Vaporization: 60.04 kJ/mol; (19)Boiling Point: 355.3 °C at 760 mmHg; (20)Vapour Pressure: 3.16E-05 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(n1)CC
(2)InChI: InChI=1/C6H8N2O/c1-2-6-7-3-5(4-9)8-6/h3-4H,2H2,1H3,(H,7,8)
(3)InChIKey: QXWHYVOBYWYFHA-UHFFFAOYAN