4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide
Basic information
- CAS
3921-95-7- Standard SMILES
CC(=O)OCC#CC[N+](C)(C)C.[I-]- InChIKey
UEZSMONEMNHYNY-UHFFFAOYSA-M- Molecular formula
- C9H16INO2
- Average molar mass
- 297.13 g/mol
- Monoisotopic mass
- 297.02258
Names & identifiers
- Preferred name
- 4-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide
- IUPAC
- 4-acetyloxybut-2-ynyl(trimethyl)azanium iodide
Names & synonyms
3921-95-7DTXSID409599874-(Acetyloxy)-N,N,N-trimethylbut-2-yn-1-aminium iodideRefChem:1070017DTXCID801387857(4-Acetoxybut-2-ynyl)trimethylammonium iodide2-Butyn-1-aminium, 4-(acetyloxy)-N,N,N-trimethyl-, iodideAMMONIUM, (4-HYDROXY-2-BUTYNYL)TRIMETHYL-, IODIDE, ACETATE
Database identifiers
- CAS
3921-95-7- PubChem CID
- 19819
- DTXSID
DTXSID40959987
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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