Dibutoline
Basic information
- CAS
21962-82-3- Standard SMILES
CCCCN(CCCC)C(=O)OCC[N+](C)(C)CC- InChIKey
SDEXVKFYBBHUKN-UHFFFAOYSA-N- Molecular formula
- C15H33N2O2+
- Average molar mass
- 273.43 g/mol
- Monoisotopic mass
- 273.2542033
Overview
RN given refers to parent cpd; structure in Negwer, 5th ed, #2941
Names & identifiers
- Preferred name
- Dibutoline
- IUPAC
- 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium
- English name
- Dibutoline
- Molecular formula
- C15H33N2O2+
- Molecular weight
- 273.44
Names & synonyms
DibutolineDibutoline ionDibutoline cation21962-82-31B3Q705AQHDTXSID90176369Ethanaminium, 2-(((dibutylamino)carbonyl)oxy)-N-ethyl-N,N-dimethyl-2-(((Dibutylamino)carbonyl)oxy)-N-ethyl-N,N-dimethylethanaminium(Ethyl(2-hydroxyethyl)dimethylammonium)sulfate bis(dibutylcarbamate)RefChem:132922DTXCID3098860Dibuline
Show more names
ethyl-(2-dibutylcarbamoyloxy-ethyl)-dimethyl-ammonium2-[[(Dibutylamino)carbonyl]oxy]-N-ethyl-N,N-dimethylethanaminium
2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazaniumUNII-1B3Q705AQHCHEMBL2110746SCHEMBL30660613Q272521812-[(Dibutylcarbamoyl)oxy]-N-ethyl-N,N-dimethylethan-1-aminiumAmmonium, ethyl(2-hydroxyethyl)dimethyl-, dibutylcarbamate (ester)
Database identifiers
- CAS
21962-82-3- PubChem CID
- 10764
- DTXSID
DTXSID90176369- ChEMBL
CHEMBL2110746- UNII
- 1B3Q705AQH
- Nikkaji
- J156.552D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 234
Physicochemical properties
- FDA UNII
- 1 B3Q705AQH · 1B3Q705AQH
- Comptox DTXSID
- 90176369 · DTXSID90176369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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