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64689-22-1

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Basic Information
CAS No.: 64689-22-1
Name: 1H-Imidazole-4-methanol, 1,5-dimethyl-
Article Data: 4
Molecular Structure:
Molecular Structure of 64689-22-1 (1H-Imidazole-4-methanol, 1,5-dimethyl-)
Formula: C6H10N2O
Molecular Weight: 126.1564
Synonyms: (1,5-dimethyl-1H-imidazol-4-yl)methanol;
Density: 1.133 g/cm3
Boiling Point: 332.336 °C at 760 mmHg
Flash Point: 154.792 °C
PSA: 38.05000
LogP: 0.22080
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Specification

The 1H-Imidazole-4-methanol, 1,5-dimethyl-, with the CAS registry number 64689-22-1, has the systematic name of (1,5-dimethyl-1H-imidazol-4-yl)methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C6H10N2O.

The physical properties of 1H-Imidazole-4-methanol, 1,5-dimethyl- are as following: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (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): 6; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.05 Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 35.135 cm3; (13)Molar Volume: 111.392 cm3; (14)Polarizability: 13.929×10-24cm3; (15)Surface Tension: 37.537 dyne/cm; (16)Density: 1.133 g/cm3; (17)Flash Point: 154.792 °C; (18)Enthalpy of Vaporization: 60.703 kJ/mol; (19)Boiling Point: 332.336 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 1H-Imidazole-4-methanol, 1,5-dimethyl-: This chemical can be prepared by formaldehyde and 1,5-dimethyl-1H-imidazole-4-carboxylic acid ethyl ester. The reaction will need reagent NaOH, and the solvent H2O. The reaction time is 18 hours with heating, and the yield is about 55.6%.
1H-Imidazole-4-methanol, 1,5-dimethyl- can be prepared by formaldehyde and 1,5-dimethyl-1H-imidazole-4-carboxylic acid ethyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ncn(C)c1C
(2)InChI: InChI=1/C6H10N2O/c1-5-6(3-9)7-4-8(5)2/h4,9H,3H2,1-2H3
(3)InChIKey: RJHNAUYZKXBDCF-UHFFFAOYAC