Chemical Properties of as-Triazino[6,5-c]quinoline, 2-methylamino- (CAS 81547-13-9)

InChI

InChI=1S/C11H9N5/c1-12-11-14-10-7-4-2-3-5-8(7)13-6-9(10)15-16-11/h2-6H,1H3,(H,12,14,16)

InChI Key

IJHKEEBMQBKHPU-UHFFFAOYSA-N

Formula

C11H9N5

SMILES

CN=c1nnc2cnc3ccccc3c2[nH]1

Molecular Weight¹

211.22

CAS

81547-13-9

Other Names

• 2-Methylamino-as-triazino(6,5-c)quinoline

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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

Find more compounds similar to as-Triazino[6,5-c]quinoline, 2-methylamino-.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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