5H-Pyrrolo[3,4-d]pyrimidine,6,7-dihydro- (53493-80-4)

The CAS register number of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine is 53493-80-4. It also can be called as 5H-Pyrrolo[3,4-d]pyrimidine,6,7-dihydro- and the systematic name about this chemical is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine. The molecular formula about this chemical is C₆H₇N₃ and molecular weight is 121.14. It belongs to the following product categories, such as Pyrrolidine; Pyrimidine; API intermediates; Chiral Chemicals and so on.

Physical properties about 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine are: (1)ACD/LogP: -1.07; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5; (5)ACD/KOC (pH 7.4): 6; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Polar Surface Area: 37.81Ų; (9)Index of Refraction: 1.574; (10)Molar Refractivity: 33.346 cm³; (11)Molar Volume: 101.005 cm³; (12)Polarizability: 13.219x10^-24cm³; (13)Surface Tension: 54.602 dyne/cm; (14)Enthalpy of Vaporization: 48.531 kJ/mol; (15)Boiling Point: 248.124 °C at 760 mmHg; (16)Vapour Pressure: 0.025 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(ncn1)CNC2
(2)InChI: InChI=1/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2
(3)InChIKey: NBXIOQTYZWAAEB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2
(5)Std. InChIKey: NBXIOQTYZWAAEB-UHFFFAOYSA-N