Product Name

  • Name

    1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde

  • EINECS
  • CAS No. 79927-25-6
  • Article Data2
  • CAS DataBase
  • Density 1.546 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H8N4O3
  • Boiling Point 484.9 °C at 760 mmHg
  • Molecular Weight 208.177
  • Flash Point 247 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 79927-25-6 (1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde)
  • Hazard Symbols
  • Synonyms 1H-Purine-8-carboxaldehyde,2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo- (9CI);Purine-8-carboxaldehyde,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- (7CI);NSC 77354;
  • PSA
  • LogP

1H-Purine-8-carboxaldehyde,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- Specification

The 1H-Purine-8-carboxaldehyde,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-, with the CAS registry number 79927-25-6, is also known as Purine-8-carboxaldehyde,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- (7CI). This chemical's molecular formula is C8H8N4O3 and molecular weight is 208.1741. What's more, its systematic name is called 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde.

Physical properties about 1H-Purine-8-carboxaldehyde,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- are: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 75.51 Å2; (7)Index of Refraction: 1.663; (8)Molar Refractivity: 49.9 cm3; (9)Molar Volume: 134.5 cm3; (10)Surface Tension: 77.7 dyne/cm; (11)Density: 1.546 g/cm3; (12)Flash Point: 247 °C; (13)Enthalpy of Vaporization: 75.03 kJ/mol; (14)Boiling Point: 484.9 °C at 760 mmHg; (15)Vapour Pressure: 1.48E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(c1nc(nc1C(=O)N2C)C=O)C
(2) InChI: InChI=1/C8H8N4O3/c1-11-6-5(9-4(3-13)10-6)7(14)12(2)8(11)15/h3H,1-2H3,(H,9,10)
(3) InChIKey: QRJJUWRNDFXITA-UHFFFAOYAW

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