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| CAS No.: | 534-26-9 |
|---|---|
| Name: | 2-METHYL-2-IMIDAZOLINE |
| Article Data: | 61 |
| Molecular Structure: | |
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| Formula: | C4H8N2 |
| Molecular Weight: | 84.1209 |
| Synonyms: | 2-Imidazoline,2-methyl- (6CI,7CI,8CI);2-Methyl-2-imidazoline;2-Methyl-4,5-dihydro-1H-imidazole;2-Methyl-4,5-dihydroimidazole;2-Methyl-D2-imidazoline;2-Methylimidazoline;4,5-Dihydro-2-methyl-1H-imidazole;Lysidine;Methylglyoxalidine; |
| EINECS: | 208-596-6 |
| Density: | 1.1 g/cm3 |
| Melting Point: | 87 °C (dec.)(lit.) |
| Boiling Point: | 144°C 140mm |
| Flash Point: | 74.2 °C |
| Solubility: | Soluble in water, alcohol, chloroform. |
| Appearance: | light yellow to Off-white crystalline |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 24.39000 |
| LogP: | -0.22760 |
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Specification
The Lysidine with cas registry number of 534-26-9 is a kind of heterocyclic compounds. Both its systematic name and IUPAC name are the same which is called 2-methyl-4,5-dihydro-1H-imidazole. Its EINECS registry number is called 208-596-6.
The physical properties about this chemical are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -1.47; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 24.34 cm3; (14)Molar Volume: 76.3 cm3; (15)Surface Tension: 35.2 dyne/cm; (16)Density: 1.1 g/cm3; (17)Flash Point: 74.2 °C; (18)Enthalpy of Vaporization: 41.74 kJ/mol; (19)Boiling Point: 199 °C at 760 mmHg; (20)Vapour Pressure: 0.493 mmHg at 25°C.
Preparation of Lysidine: it can be made by reaction of thioacetamide and ethane-1,2-diamine. The reaction occurs at ambient temperature for 3 days with 80% yield.
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Uses of Lysidine: this chemical can be used to prepare 2-methyl-1H-imidazole by using reagent KMnO4, solvent dioxane and other conditions like heating. The reaction time will last 12 hours with 72% yield.
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When you are using this chemical, please be cautious about it as the following:
If you are using this chemical, it it better to wear suitable gloves, eye/face protection for it is irritating to the eyes, the skin and the respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\NCC/1)C;
(2)InChI: InChI=1/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6);
(3)InChIKey: VWSLLSXLURJCDF-UHFFFAOYAE
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | Journal of the American Chemical Society. Vol. 57, Pg. 2424, 1935. | |
| rabbit | LD | oral | > 500mg/kg (500mg/kg) | Journal of the American Chemical Society. Vol. 57, Pg. 2424, 1935. |