9-METHYLADENINE

The 9H-Purin-6-amine,9-methyl- with CAS registry number of 700-00-5 is also known as 9-Methyladenine. The IUPAC name is 9-Methylpurin-6-amine. It belongs to product categories of Pyrimidine; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Building Blocks; Heterocyclic Building Blocks; Purines. In addition, the formula is C₆H₇N₅ and the molecular weight is 149.15. What's more, this chemical is a off-white powder and should be sealed in cool, dry place away from oxidants. During using it, avoid contact with skin and eyes as it is harmful if swallowed.

Physical properties about 9H-Purin-6-amine,9-methyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 15.668; (4)ACD/KOC (pH 7.4): 18.42; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)Index of Refraction: 1.807; (8)Molar Refractivity: 39.942 cm³; (9)Molar Volume: 92.838 cm³; (10)Surface Tension: 70.975 dyne/cm; (11)Density: 1.607 g/cm³; (12)Flash Point: 187.207 °C; (13)Enthalpy of Vaporization: 63.48 kJ/mol; (14)Boiling Point: 385.935 °C at 760 mmHg.

Preparation of 9H-Purin-6-amine,9-methyl-: it is prepared by reaction of 6-chloro-9-methyl-9H-purine. The reaction needs reagents N,N-diisopropylethylamine, NH₃ and solvent ethanol with other condition of heating. The yield is about 50%.

Uses of 9H-Purin-6-amine,9-methyl-: it is used to produce 9-methyl-1-oxy-9H-purin-6-ylamine. The reaction occurs with reagent m-CPBA and solvent m-CPBA at ambient temperature. The yield is about 50%.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CN1C=NC2=C1N=CN=C2N
2. InChI: InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
3. InChIKey: WRXCXOUDSPTXNX-UHFFFAOYSA-N