diaziquone

ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate

CAS: 57998-68-2

Molecular Formula	`C16H20N4O6`
Molecular Weight	364.35 g/mol
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	364.13828
Heavy Atoms	26
Complexity	671.0

Chemical Identifiers

CAS Number	57998-68-2
SMILES	`CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3`
InChIKey	`WVYXNIXAMZOZFK-UHFFFAOYSA-N`

📖 Product Overview

diaziquone (CAS: 57998-68-2) is a chemical compound with molecular formula C16H20N4O6 and molecular weight 364.35 g/mol. Its IUPAC systematic name is ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate. Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 8 Exact Mass 364.13828 Heavy Atoms 26 Complexity 671.0 InChI Key: WVYXNIXAMZOZFK-UHFFFAOYSA-N. SMILES: CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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