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1H-Imidazole,1,4-dimethyl-

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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 Molecular Structure of 6338-45-0 (1,4-DIMETHYLIMIDAZOLE) 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

1H-Imidazole,1,4-dimethyl- Specification

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.

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