2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol

CAS: 65427-76-1

Molecular Formula	`C12H15N5O5`
Molecular Weight	309.28 g/mol
LogP	0.5
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	309.10733
Heavy Atoms	22
Complexity	400.0

Chemical Identifiers

CAS Number	65427-76-1
SMILES	`C1CN(CCN1CCO)C2=C(C3=NO[N+](=C3C=C2)[O-])[N+](=O)[O-]`
InChIKey	`DEYZVATZOOLFDK-UHFFFAOYSA-N`

📖 Product Overview

2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol (CAS: 65427-76-1) is a chemical compound with molecular formula C12H15N5O5 and molecular weight 309.28 g/mol. Its IUPAC systematic name is 2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol. LogP 0.5 Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 309.10733 Heavy Atoms 22 Complexity 400.0 InChI Key: DEYZVATZOOLFDK-UHFFFAOYSA-N. SMILES: C1CN(CCN1CCO)C2=C(C3=NO[N+](=C3C=C2)[O-])[N+](=O)[O-].

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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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol.

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