4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide
Basic information
- CAS
53310-21-7- Standard SMILES
CC[N+](CC)(CC)CCCC#CC(O)c1ccccc1.[I-]- InChIKey
MCAXQGHPPPSIHV-UHFFFAOYSA-M- Molecular formula
- C18H28INO
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 401.12156
Names & identifiers
- Preferred name
- 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide
- IUPAC
- triethyl-(6-hydroxy-6-phenylhex-4-ynyl)azanium iodide
Names & synonyms
53310-21-74-HEXYN-1-AMINIUM, 6-HYDROXY-6-PHENYL-N,N,N-TRIETHYL-, IODIDERefChem:10707186-Hydroxy-6-phenyl-N,N,N-triethyl-4-hexyn-1-aminium iodideDTXSID90967911N,N,N-Triethyl-6-hydroxy-6-phenylhex-4-yn-1-aminium iodide
Database identifiers
- CAS
53310-21-7- PubChem CID
- 40719
- DTXSID
DTXSID90967911
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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