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

SMILES

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

Molecular Weight¹

231.25

CAS

68-76-8

Other Names

2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-
p-Benzoquinone, tris(1-aziridinyl)-
p-Benzoquinone, 2,3,5-tris(1-aziridinyl)-
A 163
Aziridine, 1,1',1''-(3,6-dioxo-1,4-cyclohexadiene-1,2,4-triyl)tris-
Bayer 3231
BAY 3231
NSC-29215
Oncoredox
Oncovedex
Prenimon
Riker 601
Trenimon
Treninon
Triazichon
Triaziquinone
Triaziquon
Triethyleneaminobenzoquinone
Triethyleneiminobenzoquinone
Triethyleniminobenzoquinone
Tris(aziridinyl)-p-benzoquinone
Tris(ethyleneimino)benzoquinone
Tris(1-aziridinyl)-p-benzoquinone
Trisaethyleniminobenzochinon
Trisethyleneiminoquinone
TEIB
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-p-benzoquinone
2,3,5-Triethyleneimino-1,4-benzoquinone
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)-p-benzoquinone
2,3,5-Tris(ethylenimino)-1,4-benzoquinone
2,3,5-Tris(ethylenimino)benzoquinone
2,3,5-Tris(1-aziridino)-p-benzoquinone
2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione
Triaziquonum

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

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Physical Properties

Property	Value	Unit	Source
logP_oct/wat	-0.819		Crippen Calculated Property
McVol	160.980	ml/mol	McGowan Calculated Property

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, 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

3'-trans-cinnamoylindicine.

3'-cis-cinnamoylindicine.

5-methyl-2,3-bis(1'-pyrrolidinyl)-2-cyclopenten-1-one.

Heliotrine (7S).

Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-.

3'-dihydrocinnamoylindicine.

oxazolam, acetylated.

9-curassavoylheliotridine.

7-senecioyllycopsamine.

Lysergol.

2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate].

4',5'-Diiodofluorescein.

N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2).

N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1).

4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Find more compounds similar to Triaziquone.

Sources

Cheméo Relay (1.0)
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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