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Name |
1H-Imidazole,1,4-dimethyl- |
EINECS | N/A |
CAS No. | 6338-45-0 | Density | 0.98 g/cm3 |
PSA | 17.82000 | LogP | 0.72850 |
Solubility | N/A | Melting Point |
25.8°C |
Formula | C5H8N2 | Boiling Point | 216.7 °C at 760 mmHg |
Molecular Weight | 96.1319 | Flash Point | 84.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Imidazole,1,4-dimethyl- (8CI);1,4-Dimethyl-1H-imidazole;1,4-Dimethylimidazole;N,4-Dimethylimidazole;NSC 40745; |
Article Data | 2 |
The CAS register number of 1H-Imidazole,1,4-dimethyl- is 6338-45-0. It also can be called as 1,4-Dimethyl-1H-imidazole and the IUPAC name about this chemical is 1,4-dimethylimidazole. The molecular formula about this chemical is C5H8N2 and the molecular weight is 96.13042.
Physical properties about 1H-Imidazole,1,4-dimethyl- are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): -1.64; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.36; (8)#H bond acceptors: 2; (9)Polar Surface Area: 17.82 Å2; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 29.67 cm3; (12)Molar Volume: 97.7 cm3; (13)Polarizability: 11.76x10-24cm3; (14)Surface Tension: 31.3 dyne/cm; (15)Density: 0.98 g/cm3; (16)Flash Point: 84.8 °C; (17)Enthalpy of Vaporization: 43.46 kJ/mol; (18)Boiling Point: 216.7 °C at 760 mmHg; (19)Vapour Pressure: 0.203 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cn(c1)C)C
(2)InChI: InChI=1/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3
(3)InChIKey: BLHTXORQJNCSII-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3
(5)Std. InChIKey: BLHTXORQJNCSII-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 250mg/kg (250mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Veterinary and Human Toxicology. Vol. 41, Pg. 363, 1999. |