3-Hydroxy-N,N,N,2-tetramethyl-2,3-dihydro-1-benzofuran-5-aminium iodide
Basic information
- CAS
31509-22-5- Standard SMILES
C[C@H]1Oc2ccc([N+](C)(C)C)cc2[C@H]1O.[I-]- InChIKey
VVKWIAXBUFKNOF-YFUGSSCLSA-M- Molecular formula
- C12H18INO2
- Average molar mass
- 335.18 g/mol
- Monoisotopic mass
- 335.03823
Names & identifiers
- Preferred name
- 3-Hydroxy-N,N,N,2-tetramethyl-2,3-dihydro-1-benzofuran-5-aminium iodide
- IUPAC
- [(2R,3R)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-trimethylazanium iodide
Names & synonyms
31509-22-5DTXSID709534983-Hydroxy-N,N,N,2-tetramethyl-2,3-dihydro-1-benzofuran-5-aminium iodideRefChem:1067979DTXCID701381549Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethyl-, (Z)-, iodidecis-(2,3-Dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethylammonium iodide(2R,3R)-3-hydroxy-N,N,N,2-tetramethyl-2,3-dihydro-1-benzofuran-5-aminium iodide
Database identifiers
- CAS
31509-22-5- PubChem CID
- 35824
- DTXSID
DTXSID70953498
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
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Compound notes
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