Basic information
- CAS
61785-54-4- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2c1no[n+]2[O-]- InChIKey
GICCVXYWBGOBIG-UHFFFAOYSA-N- Molecular formula
- C12H15N5O5
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.1073186
Names & identifiers
- Preferred name
- Benzofurazan, 7-(4-(2-hydroxyethyl)-1-piperazinyl)-4-nitro-, 1-oxide
- IUPAC
- 2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol
- English name
- 7-[4-(2-Hydroxyethyl)piperazin-1-yl]-4-nitrobenzofurazane 1-oxide
- Molecular formula
- C12H15N5O5
- Molecular weight
- 309.28
Names & synonyms
61785-54-4BENZOFURAZAN, 7-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE4-(4-Hydroxyethylpiperazinyl)-7-nitrobenzofuroxanW64BZ6FBQ27-(4-(2-Hydroxyethyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxideNSC-2281014-(7-Nitro-3-oxido-2,1,3-benzoxadiazol-4-yl)-1-piperazineethanolUNII-W64BZ6FBQ21-Piperazineethanol, N-oxideDTXSID30210776NSC228101NSC 228101
Show more names
B-27437-[4-(2-Hydroxyethyl)piperazin-1-yl]-4-nitrobenzofurazan 1-oxide7-[4-(2-Hydroxyethyl)piperazin-1-yl]-4-nitrobenzofurazane 1-oxide7-[4-(2-Hydroxyethyl)-1-piperazinyl]-4-nitrobenzofurazane 1-oxide
DB-296709WLN: T56 BNONJ FNW XO I- AT6N DNTJ D2QHydroxyethylpiperazinyl)-7-nitrobenzofuroxan, 4-(4-1-Piperazineethanol, 4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-4-yl)-7-[4-(2-Hydroxyethyl)piperazin-1-yl ]-4-nitrobenzofurazane 1-oxide2-[4-(4-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-7-yl)piperazin-1-yl]ethan-1-ol
Database identifiers
- CAS
61785-54-4- PubChem CID
- 43789
- DTXSID
DTXSID30210776- UNII
- W64BZ6FBQ2
- Nikkaji
- J1.102I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- FDA UNII
- 64 BZ6FBQ2 · W64BZ6FBQ2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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