Basic information
- CAS
61785-70-4- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c2c1no[n+]2[O-]- InChIKey
RSXBJYGOGDROLM-UHFFFAOYSA-N- Molecular formula
- C16H15N5O4
- Average molar mass
- 341.32 g/mol
- Monoisotopic mass
- 341.11240398
Names & identifiers
- Preferred name
- Benzofurazan, 4-nitro-7-(4-phenyl-1-piperazinyl)-, 1-oxide
- IUPAC
- 7-nitro-3-oxido-4-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium
- English name
- 4-Nitro-5-(4-phenyl-1-piperazinyl)benzofurazane 1-oxide
- Molecular formula
- C16H15N5O4
- Molecular weight
- 341.32
Names & synonyms
7-(Phenylpiperazinyl)-4-nitrobenzofuroxan61785-70-4X4GGB5E7TRBENZOFURAZAN, 4-NITRO-7-(4-PHENYL-1-PIPERAZINYL)-, 1-OXIDENSC-228098NSC2280984-Nitro-7-(4-phenyl-1-piperazinyl)benzofurazan 1-oxideUNII-X4GGB5E7TRDTXSID10210779NSC 228098WLN: T56 BNONJ BO FNW I- AT6N DNTJ DRPHENYLPIPERAZINYL)-4-NITROBENZOFUROXAN, 7-(
Show more names
4-Nitro-5-(4-phenyl-1-piperazinyl)benzofurazane 1-oxide
2,1,3-Benzoxadiazole, 4-nitro-7-(4-phenyl-1-piperazinyl)-, 1-oxide4-Nitro-1-oxo-7-(4-phenylpiperazin-1-yl)-2,1lambda~5~,3-benzoxadiazole
Database identifiers
- CAS
61785-70-4- PubChem CID
- 43791
- DTXSID
DTXSID10210779- UNII
- X4GGB5E7TR
- Nikkaji
- J71.583B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Boiling point
- 476.96 °C · 476.96°C (rough estimate)
- Density
- 1.231 · 1.2310 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- pka
- 4.59 · 4.59±0.40(Predicted)
- FDA UNII
- 4 GGB5E7TR · X4GGB5E7TR
- Toxicity
- 100 mg/plate · mmo-sat 100 mg/plate MUREAV 48,145,77
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mmo-sat 100 mg/plate MUREAV 48,145,77
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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