Chemical Properties of Triaziquone (CAS 68-76-8)

InChI

InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2

InChI Key

PXSOHRWMIRDKMP-UHFFFAOYSA-N

Formula

C12H13N3O2

SMILES

O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

Molecular Weight¹

231.25

CAS

68-76-8

Other Names

• 1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine
• 10257 R.P.
• 2,3,5-Ethylenimine-1,4-benzoquinone
• 2,3,5-Tri(1-aziridinyl)-p-benzoquinone
• 2,3,5-Triethyleneimino-1,4-benzoquinone
• 2,3,5-Triethyleneimino-p-benzoquinone
• 2,3,5-Tris(1-aziridino)-p-benzoquinone
• 2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione
• 2,3,5-Tris(aziridino)-1,4-benzoquinone
• 2,3,5-Tris(aziridinyl)-1,4-benzoquinone
• 2,3,5-Tris(ethyleneimino)benzoquinone
• 2,3,5-Tris(ethylenimino)-1,4-benzoquinone
• 2,3,5-Tris(ethylenimino)-p-benzoquinone
• 2,3,5-Tris(ethylenimino)benzoquinone
• 2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
• 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-
• A 163
• Aziridine, 1,1',1''-(3,6-dioxo-1,4-cyclohexadiene-1,2,4-triyl)tris-
• BAY 3231
• Bayer 3231
• NSC-29215
• Oncoredox
• Oncovedex
• Prenimon
• Riker 601
• TEIB
• Trenimon
• Treninon
• Triazichon
• Triaziquinone
• Triaziquon
• Triaziquonum
• Triethyleneaminobenzoquinone
• Triethyleneiminobenzoquinone
• Triethyleniminobenzoquinone
• Tris(1-aziridinyl)-p-benzoquinone
• Tris(aziridinyl)-p-benzoquinone
• Tris(ethyleneimino)benzoquinone
• Trisaethyleniminobenzochinon
• Trisethyleneiminoquinone
• p-Benzoquinone, 2,3,5-tris(1-aziridinyl)-
• p-Benzoquinone, tris(1-aziridinyl)-

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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 Triaziquone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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