Butopyrammonium Iodide
Basic information
- CAS
7077-30-7- Standard SMILES
CCCC[N+](C)(C)c1c(C)n(C)n(-c2ccccc2)c1=O.[I-]- InChIKey
SZHRRALHWUGUQA-UHFFFAOYSA-M- Molecular formula
- C17H26IN3O
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 415.11206
Names & identifiers
- Preferred name
- Butopyrammonium Iodide
- IUPAC
- butyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-dimethylazanium iodide
- English name
- ButopyrammoniumIodide
- Molecular formula
- C17H26IN3O
- Molecular weight
- 415.32
Names & synonyms
Butopyrammonium iodideIoduro de butopiramonioIodure de butopyrammoniumM3PZW4O91BButopyrammonium iodide [INN]Butopyrammonil iodidumUNII-M3PZW4O91B7077-30-7Butyldimethyl(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)ammonium iodidebutopirammonio iodurobutopyrammonii iodidumRefChem:122176
Show more names
ButopyrammoniumIodide
Butopyrammoniumjodidn-butyl-n,n,1,5-tetramethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-aminium iodideSCHEMBL2733738CHEMBL2106628DTXSID40991024butyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-dimethylazanium iodideQ27283447Butyldimethyl(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)ammonium iodide.
Database identifiers
- CAS
7077-30-7- PubChem CID
- 189907
- DTXSID
DTXSID40991024- ChEMBL
CHEMBL2106628- UNII
- M3PZW4O91B
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- FDA UNII
- 3 PZW4O91B · M3PZW4O91B
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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