The 1H-Imidazole-2-methanol,1-methyl-, with the CAS registry number 17334-08-6, has the systematic name of (1-methyl-1H-imidazol-2-yl)methanol. And the molecular formula of this chemical is C5H8N2O. It is a kind of irritant chemical, and belongs to the following product categories: Alcohols and Derivatives; Heterocycles; Hydroxymethyl's; Imidazoles & Benzimidazoles; Imidazol & Benzimidazole; API intermediates; Heterocycle intermediates; Pyrimidines.
The physical properties of 1H-Imidazole-2-methanol,1-methyl- are as following: (1)ACD/LogP: -0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.58; (4)ACD/LogD (pH 7.4): -1.14; (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): 4.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 30.71 cm3; (15)Molar Volume: 96 cm3; (16)Polarizability: 12.17×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 54.77 kJ/mol; (21)Boiling Point: 279.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00187 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1nccn1C
(2)InChI: InChI=1/C5H8N2O/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3
(3)InChIKey: CDQDMLWGTVLQEE-UHFFFAOYAX
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