4 4-DIMETHYL-2-IMIDAZOLINE 97

The 1H-Imidazole,4,5-dihydro-5,5-dimethyl-, with the CAS registry number 2305-59-1, is also known as 5,5-Dimethyl-4,5-dihydro-1H-imidazole. This chemical's molecular formula is C₅H₁₀N₂ and molecular weight is 98.1463. What's more, its IUPAC name is called 5,5-Dimethyl-1,4-dihydroimidazole. It should be kept in a cool and ventilated place.

Physical properties about 1H-Imidazole,4,5-dihydro-5,5-dimethyl- are: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -2.04; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.6 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 29.3 cm³; (15)Molar Volume: 97 cm³; (16)Surface Tension: 32.6 dyne/cm; (17)Density: 1.01 g/cm³; (18)Flash Point: 94.4 °C; (19)Enthalpy of Vaporization: 43 kJ/mol; (20)Boiling Point: 193.8 °C at 760 mmHg; (21)Vapour Pressure: 0.457 mmHg at 25 °C.

Preparation of 1H-Imidazole,4,5-dihydro-5,5-dimethyl-: this chemical can be prepared by 1,1-Dimethyl-ethanediyldiamine with 2-Isocyano-2-methyl-propane. This reaction needs reagent Silver cyanide at temperature of 85-90 °C. The yield is 89 %.

Uses of 1H-Imidazole,4,5-dihydro-5,5-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 1-Acetyl-4,4-dimethyl-4,5-dihydro-1H-imidazole. The reaction occurs with reagent Triethylamin and solvent CH₂Cl₂. The yield is 62 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N\1=C\NC(C)(C)C/1
(2) InChI: InChI=1/C5H10N2/c1-5(2)3-6-4-7-5/h4H,3H2,1-2H3,(H,6,7)
(3) InChIKey: OVABIFHEPZPSCK-UHFFFAOYAI