N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine

CAS: 65427-78-3

Molecular Formula	`C13H19N5O4`
Molecular Weight	309.32 g/mol
LogP	2.9
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	309.1437
Heavy Atoms	22
Complexity	363.0

Chemical Identifiers

CAS Number	65427-78-3
SMILES	`CCN(CC)CCCNC1=C(C2=NO[N+](=C2C=C1)[O-])[N+](=O)[O-]`
InChIKey	`RKSSOOANULPKNP-UHFFFAOYSA-N`

📖 Product Overview

N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine (CAS: 65427-78-3) is a chemical compound with molecular formula C13H19N5O4 and molecular weight 309.32 g/mol. Its IUPAC systematic name is N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine. LogP 2.9 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 309.1437 Heavy Atoms 22 Complexity 363.0 InChI Key: RKSSOOANULPKNP-UHFFFAOYSA-N. SMILES: CCN(CC)CCCNC1=C(C2=NO[N+](=C2C=C1)[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 N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine.

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