2-AMINO-1-METHYLBENZIMIDAZOLE

The 1H-Benzimidazol-2-amine,1-methyl-, with the CAS registry number 1622-57-7, is also known as 2-Amino-1-methyl-1H-benzimidazole. It belongs to the product categories of Benzimidazole; Pharmacetical; Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS number is 231-538-6. This chemical's molecular formula is C₈H₉N₃ and molecular weight is 147.18. What's more, its systematic name is 1-methylbenzimidazol-2-amine. Its classification code is Mutation data. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxidants.

Physical properties of 1H-Benzimidazol-2-amine,1-methyl- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.8; (7)ACD/KOC (pH 5.5): 1.48; (8)ACD/KOC (pH 7.4): 44.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 43.05 cm³; (15)Molar Volume: 115.5 cm³; (16)Polarizability: 17.06×10^-24cm³; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 156.3 °C; (20)Enthalpy of Vaporization: 57.79 kJ/mol; (21)Boiling Point: 334.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000124 mmHg at 25°C.

Preparation of 1H-Benzimidazol-2-amine,1-methyl-: this chemical can be prepared by 2-azido-1-methyl-1H-benzoimidazole at the temperature of 30 °C. This reaction will need reagent H₂ and solvent ethanol with the reaction time of 3 hours. This reaction will also need catalyst 10% Pd-C. The yield is about 89.5%.

Uses of 1H-Benzimidazol-2-amine,1-methyl-: it can be used to produce 2-chloro-N-(1-methyl-1H-benzoimidazol-2-yl)-acetamide at the ambient temperature. It will need reagent triethylamine and solvent tetrahydrofuran with the reaction time of 12 hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c2c(ccc1ccccc12)CC3C
(2)InChI: InChI=1S/C14H12O/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14(9)15/h2-7,9H,8H2,1H3
(3)InChIKey: WZQMTXDLOOIQDN-UHFFFAOYSA-N