Basic information
- CAS
102571-30-2- Standard SMILES
CCC(CO)(C[N+](C)(C)C)c1ccccc1.[I-]- InChIKey
YQRLOCKSDVZRGE-UHFFFAOYSA-M- Molecular formula
- C14H24INO
- Average molar mass
- 349.25 g/mol
- Monoisotopic mass
- 349.09026
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-N,N,N-trimethyl-2-phenylbutan-1-aminium iodide
- IUPAC
- [2-(hydroxymethyl)-2-phenylbutyl]-trimethylazanium iodide
Names & synonyms
102571-30-2DTXSID209077492-(hydroxymethyl)-n,n,n-trimethyl-2-phenylbutan-1-aminium iodideRefChem:1061867DTXCID401336838L 1800(beta-Ethyl-beta-(hydroxymethyl)phenethyl)trimethylammonium iodideIodometilato di 2-etil-2-fenil-3-dimetilaminopropanolo [Italian]AMMONIUM, (beta-ETHYL-beta-(HYDROXYMETHYL)PHENETHYL)TRIMETHYL-, IODIDEIodometilato di 2-etil-2-fenil-3-dimetilaminopropanolo
Database identifiers
- CAS
102571-30-2- PubChem CID
- 59516
- DTXSID
DTXSID20907749
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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