Benzofurazan, 5-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide

HCID 47632

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Basic information

CAS: 65427-78-3
Standard SMILES: CCN(CC)CCCNc1ccc2c(no[n+]2[O-])c1[N+](=O)[O-]
InChIKey: RKSSOOANULPKNP-UHFFFAOYSA-N
Molecular formula: C13H19N5O4
Average molar mass: 309.32 g/mol
Monoisotopic mass: 309.1437041

Names & identifiers

Preferred name: Benzofurazan, 5-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide
IUPAC: N',N'-diethyl-N-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)propane-1,3-diamine

Names & synonyms

65427-78-3BENZOFURAZAN, 5-(3-(DIETHYLAMINO)PROPYLAMINO)-4-NITRO-, 1-OXIDE5-(3-(Diethylamino)propylamino)-4-nitrobenzofurazan 1-oxideDTXSID60215754N~1~,N~1~-Diethyl-N~3~-(4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-5-yl)propane-1,3-diamine

Database identifiers

CAS: 65427-78-3
PubChem CID: 47632
DTXSID: DTXSID60215754
Nikkaji: J71.568I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 363

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