Basic information
- CAS
914-45-4- Standard SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
HATVYMZYGANAFO-UHFFFAOYSA-M- Molecular formula
- C22H38N4O7
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.27404956
Names & identifiers
- Preferred name
- Tetrabutylammonium picrate
- IUPAC
- tetrabutylazanium;2,4,6-trinitrophenolate
Names & synonyms
Tetrabutylammonium picrateTetra-N-butylammonium picrateAMMONIUM, TETRABUTYL-, PICRATE914-45-4XM92978ZCTTetrabutylammonio, salt with 2,4,6-trinitrophenol (1:1)NSC-973611-Butanaminium, N,N,N-tributyl-, salt with 2,4,6-trinitrophenol (1:1)DTXSID60238544RefChem:1099617DTXCID10161035213-018-0
Show more names
EINECS 213-018-0NSC 97361Ammonium, picrateUNII-XM92978ZCTSCHEMBL11048390NSC97361WLN: WNR BO CNW ENW &4K4&4&4N,N,N-tributylbutan-1-aminium 2,4,6-trinitrophenolate
Database identifiers
- CAS
914-45-4- PubChem CID
- 13504
- DTXSID
DTXSID60238544- UNII
- XM92978ZCT
- EC Number
- 213-018-0
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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