4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide
Basic information
- CAS
53310-19-3- Standard SMILES
CCC(C)(O)C#CCCC[N+](CC)(CC)CC.[I-]- InChIKey
JFYCKWUNTNUXMB-UHFFFAOYSA-M- Molecular formula
- C15H30INO
- Average molar mass
- 367.31 g/mol
- Monoisotopic mass
- 367.13721
Names & identifiers
- Preferred name
- 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide
- IUPAC
- triethyl-(6-hydroxy-6-methyloct-4-ynyl)azanium iodide
Names & synonyms
53310-19-34-OCTYN-1-AMINIUM, 6-HYDROXY-6-METHYL-N,N,N-TRIETHYL-, IODIDERefChem:10713356-Hydroxy-6-methyl-N,N,N-triethyl-4-octyn-1-aminium iodideDTXSID30967910N,N,N-triethyl-6-hydroxy-6-methyloct-4-yn-1-aminium iodide
Database identifiers
- CAS
53310-19-3- PubChem CID
- 40717
- DTXSID
DTXSID30967910
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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