2-Methyl-2-imidazoline supplier

Name
2-METHYL-2-IMIDAZOLINE
EINECS 208-596-6
CAS No. 534-26-9
Article Data61
CAS DataBase
Density 1.1 g/cm³
Solubility Soluble in water, alcohol, chloroform.
Melting Point 87 °C (dec.)(lit.)
Formula C₄H₈N₂
Boiling Point 144°C 140mm
Molecular Weight 84.1209
Flash Point 74.2 °C
Transport Information
Appearance light yellow to Off-white crystalline
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 24.39000
LogP -0.22760

2-Methyl-2-imidazoline 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.

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.

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.

Product Name

2-METHYL-2-IMIDAZOLINE

2-Methyl-2-imidazoline Specification

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