Chemical Properties of Alloxazine (CAS 490-59-5)

Alloxazine

InChI
InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChI Key
HAUGRYOERYOXHX-UHFFFAOYSA-N
Formula
C10H6N4O2
SMILES
Oc1nc(O)c2nc3ccccc3nc2n1
Molecular Weight1
214.18
CAS
490-59-5
Other Names
  • Benzo(g)pteridine-2,4(1H,3H)-dione
  • Alloxazin
  • 1,2,3,4-tetrahydrobenzopteridine-2,4-dione
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -60.76 kJ/mol Relay (1.0) Calculated Property
IE 8.73 eV Relay (1.0) Calculated Property
logPoct/wat 0.984 Crippen Calculated Property
McVol 140.740 ml/mol McGowan Calculated Property
Tfus 666.39 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Lumazine, 6,7-dimethyl- (keto form). 5H-Indolo(2,3-b)quinoxaline. 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one. 5-(2-Hydroxypropionyl)-6,7-dimethyl-2,3-dihydro-1H-pyrrolizine. Oxatomide. 2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TMS. deoxyinosine, TMS. 2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. 2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Inabenfide, N,O-bis(tert-butyldimethylsilyl)-. N6-TMS-2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TBDMSi). N6-TMS-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS. Benzenepropanol, 3-hydroxy-4-(2-hydroxy-1-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl))ethyl, pentakis-TMS.

Find more compounds similar to Alloxazine.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.