Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Imidazole-4-methanol,1-methyl- |
EINECS | N/A |
CAS No. | 17289-25-7 | Density | 1.16 g/cm3 |
PSA | 38.05000 | LogP | -0.08760 |
Solubility | N/A | Melting Point |
59.5-63.5 |
Formula | C5H8N2O | Boiling Point | 324.9 °C at 760 mmHg |
Molecular Weight | 112.131 | Flash Point | 150.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Harmful:; |
|
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Imidazole-4-methanol,1-methyl- (8CI);1-Methyl-1H-imidazol-4-ylmethanol;1-Methyl-4-hydroxymethylimidazole;1-Methyl-4-imidazolemethanol;4-(Hydroxymethyl)-1-methylimidazole;(1-methyl-1H-imidazol-4-yl)methanol; |
Article Data | 11 |
The 1H-Imidazole-4-methanol,1-methyl-, with the CAS registry number 17289-25-7, has the systematic name of (1-methyl-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 the chemical is C5H8N2O.
The characteristics of 1H-Imidazole-4-methanol,1-methyl- are as followings: (1)ACD/LogP: -1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/LogD (pH 7.4): -1.43; (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): 3.86; (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: 150.3 °C; (20)Enthalpy of Vaporization: 59.85 kJ/mol; (21)Boiling Point: 324.9 °C at 760 mmHg; (22)Vapour Pressure: 9.76E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc1ncn(c1)C
(2)InChI: InChI=1/C5H8N2O/c1-7-2-5(3-8)6-4-7/h2,4,8H,3H2,1H3
(3)InChIKey: NLEAEGDBKRBJAP-UHFFFAOYAT