6-(METHYLAMINO)PURINE

The CAS register number of 9H-Purin-6-amine,N-methyl- is 443-72-1. It also can be called as 6-Mono(methylamino)purine and the IUPAC name about this chemical is N-methyl-7H-purin-6-amine. The molecular formula about this chemical is C₆H₇N₅ and the molecular weight is 149.15. It belongs to the following product categories which include Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines and so on. The storage temperature of this chemical is 2-8 °C.

Physical properties about 9H-Purin-6-amine,N-methyl- are: (1)ACD/LogP: -0.99; (2)ACD/LogD (pH 5.5): -1.05; (3)ACD/LogD (pH 7.4): -0.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.03; (7)ACD/KOC (pH 7.4): 6.85; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)Polar Surface Area: 46.84 Å²; (11)Index of Refraction: 1.78; (12)Molar Refractivity: 42.41 cm³; (13)Molar Volume: 100.9 cm³; (14)Polarizability: 16.81x10^-24cm³; (15)Surface Tension: 91.1 dyne/cm; (16)Density: 1.476 g/cm³; (17)Flash Point: 251.9 °C; (18)Enthalpy of Vaporization: 76 kJ/mol; (19)Boiling Point: 492.9 °C at 760 mmHg; (20)Vapour Pressure: 7.36E-10 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-methyl-1H-purin-6-ylamine. This reaction will need reagent of 0.2 N aq. NaOH. The reaction time is 4 hours with reaction temperature of 95 - 100 °C. The yield is about 65%.

Uses of 9H-Purin-6-amine,N-methyl-: it can be used to produce methyl-(1-oxy-9H-purin-6-yl)-amine. This reaction will need reagent of MCPBA and solvent of methanol. The reaction time is 20 hours with reaction temperature of 30 °C. The yield is about 36%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2c(nc1)ncn2)NC
(2)InChI: InChI=1/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
(3)InChIKey: CKOMXBHMKXXTNW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
(5)Std. InChIKey: CKOMXBHMKXXTNW-UHFFFAOYSA-N