9H-Purin-6-amine,N-(phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)- (2312-73-4)

 The 6-Benzylamino-9-tetrahydropyran-2-yl-9h-purine, with its CAS registry number 2312-73-4, has the IUPAC name of N-benzyl-9-(oxan-2-yl)purin-6-amine.  For being a kind of white crystal, its product categories are including Plant Hormones.

The physical properties of this chemical are as below: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.07; (6)ACD/BCF (pH 7.4): 3.14; (7)ACD/KOC (pH 5.5): 77.11; (8)ACD/KOC (pH 7.4): 78.87; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 56.07; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 88.25 cm³; (15)Molar Volume: 228.3 cm³; (16)Polarizability: 34.98×10^-24 cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 281.1 °C; (20)Enthalpy of Vaporization: 81.89 kJ/mol; (21)Boiling Point: 541.1 °C at 760 mmHg; (22)Vapour Pressure: 8.96E-12 mmHg at 25°C; (23)Exact Mass: 309.15896; (24)MonoIsotopic Mass: 309.15896; (25)Topological Polar Surface Area: 64.9; (26)Heavy Atom Count: 23; (27)Complexity: 376.

Production method of this chemical is below: 3,4-dihydro-2H-pyran could react with benzyl-(7(9)H-purin-6-yl)-amine to produce 6-Benzylamino-9-tetrahydropyran-2-yl-9h-purine. This reaction happens in the presence of the reagent of pTsOH and the solvent of various solvent(s), and it requires 2 hours to produce this chemical in the condition of heating.

When you are dealing with this chemical, you should be careful. For being a kind of harmful chemical which may cause damage to health, it will be dangerous to our body if swallowed. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4
(2)InChI: InChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)
(3)InChIKey: POFWRMVFWIJXHP-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: