1,2,5-Oxadiazol-3-amine, 4,4'-azoxybis-

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Basic information

CAS: 78644-89-0
Standard SMILES: Nc1nonc1N=[N+]([O-])c1nonc1N
InChIKey: PXKYRJUTZOXSOW-UHFFFAOYSA-N
Molecular formula: C4H4N8O3
Average molar mass: 212.13 g/mol
Monoisotopic mass: 212.04063602

Names & identifiers

Preferred name: 1,2,5-Oxadiazol-3-amine, 4,4'-azoxybis-
IUPAC: (4-amino-1,2,5-oxadiazol-3-yl)-[(4-amino-1,2,5-oxadiazol-3-yl)imino]-oxidoazanium
English name: 1,2,5-Oxadiazol-3-amine, 4,4'-azoxybis-
Molecular formula: C4H4N8O3
Molecular weight: 212.13

Names & synonyms

78644-89-01,2,5-Oxadiazol-3-amine, 4,4'-azoxybis-1,2-Bis(4-amino-1,2,5-oxadiazol-3-yl)diazene 1-oxidediaminoazoxyfurazanamino(4-amino(1,2,5-oxadiazol-3-yl))[(4-amino(1,2,5-oxadiazol-3-yl))azamethyle ne]-1-ol(4-amino-1,2,5-oxadiazol-3-yl)-[(4-amino-1,2,5-oxadiazol-3-yl)imino]-oxidoazaniumSCHEMBL13592484SCHEMBL14118917DTXSID80336450PXKYRJUTZOXSOW-UHFFFAOYSA-N3,3'-Diamino-4,4'-azoxyfurazanSBB012617

Show more names

1,2,5-Oxadiazol-3-amine, 4,4'-(1-oxido-1,2-diazenediyl)bis-1,2,5-Oxadiazol-3-amine, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-oxidodiazenyl]-

STK3942824-[(z)-(4-amino-1,2,5-oxadiazol-3-yl)-nno-azoxy]-1,2,5-oxadiazol-3-amineAKOS001483505AKOS016347362ST026978AH-034/32472020(Z)-1,2-bis(4-amino-1,2,5-oxadiazol-3-yl)diazene oxide4-[(4-amino-1,2,5-oxadiazol-3-yl)-NON-azoxy]-1,2,5-oxadiazol-3-amine

Database identifiers

CAS: 78644-89-0
PubChem CID: 533871
DTXSID: DTXSID80336450
Nikkaji: J1.404.296B

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 171 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 261 · 261-262 °C
Boiling point: 562.5 · 562.5±60.0 °C(Predicted)
Density: 1.82 g/cm3 · 1.82 g/cm3

Related reactions

2 records

New reaction record

HRID 277613As productuspto-grants-2002_03

HRID 1267617As productuspto-grants-2003_04

Compound notes

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