Ammonium, dimethyl(3-hydroxyphenyl)isopropyl-, iodide
Basic information
- CAS
63977-51-5- Standard SMILES
CC(C)[N+](C)(C)c1cccc(O)c1.[I-]- InChIKey
YWPJUNSZBYZRBF-UHFFFAOYSA-N- Molecular formula
- C11H18INO
- Average molar mass
- 307.17 g/mol
- Monoisotopic mass
- 307.04331
Names & identifiers
- Preferred name
- Ammonium, dimethyl(3-hydroxyphenyl)isopropyl-, iodide
- IUPAC
- (3-hydroxyphenyl)-dimethyl-propan-2-ylazanium iodide
Names & synonyms
(3-Hydroxyphenyl)isopropyldimethylammonium iodideRo 2-366263977-51-5AMMONIUM, DIMETHYL(3-HYDROXYPHENYL)ISOPROPYL-, IODIDERefChem:319327
Database identifiers
- CAS
63977-51-5- PubChem CID
- 45794
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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