1-METHYLADENINE

The CAS register number of 1H-Purin-6-amine,1-methyl- is 5142-22-3. It also can be called as 1-Methyladenine and the IUPAC name about this chemical is 1-methylpurin-6-amine. The molecular formula about this chemical is C₆H₇N₅ and the molecular weight is 149.15. This chemical is harmful if swallowed. It  may cause damage to health. When you are using it, avoid contact with skin and eyes.

Physical properties about 1H-Purin-6-amine,1-methyl- are: (1)ACD/LogP: -2.36; (2)ACD/LogD (pH 5.5): -4.36; (3)ACD/LogD (pH 7.4): -4.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 43.56 Å²; (12)Index of Refraction: 1.807; (13)Molar Refractivity: 39.94 cm³; (14)Molar Volume: 92.8 cm³; (15)Polarizability: 15.83x10^-24cm³; (16)Surface Tension: 70.9 dyne/cm; (17)Density: 1.6 g/cm³; (18)Flash Point: 99 °C; (19)Enthalpy of Vaporization: 47.7 kJ/mol; (20)Boiling Point: 240.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0387 mmHg at 25 °C.

Preparation: this chemical can be prepared by 7-(3-methoxy-benzyl)-1-methyl-1,7-dihydro-purin-6-ylideneamine. This reaction will need solvent of H₂O, methanol. The reaction needs irradiation. The yield is about 65%.

Uses of 1H-Purin-6-amine,1-methyl-: it can be used to produce methyl-(7(9)H-purin-6-yl)-amine. 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%.

You can still convert the following datas into molecular structure:
(1)SMILES: N1=C\N(\C(=C/2\N=C/N=C1\2)N)C
(2)InChI: InChI=1/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3
(3)InChIKey: HPZMWTNATZPBIH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3
(5)Std. InChIKey: HPZMWTNATZPBIH-UHFFFAOYSA-N