Basic information
- CAS
125-99-5- Standard SMILES
CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[I-]- InChIKey
VFEDLMLHAGASHB-UHFFFAOYSA-M- Molecular formula
- C21H36INO
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.18416
Overview
Tridihexethyl iodide is an organic iodide salt. It contains a tridihexethyl.
Names & identifiers
- Preferred name
- Tridihexethyl Iodide
- IUPAC
- (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium iodide
- English name
- tridihexethyl iodide
- Molecular formula
- C21H36NO.I
- Molecular weight
- 445.421
Names & synonyms
Tridihexethyl iodideTridihexethideTrihexethyl iodideClavitonTridihexidePropethonum iodide125-99-5Ioduro de tridihexetiloIodure de tridihexethylTridihexethyli iodidumPropethonium iodide(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide
Show more names
TridihexethlTridihexethyl
7Y7FXO7GQP1-Cyclohexyl-3-diethylamino-1-phenyl-1-propanol ethiodide3-Diethylamino-1-cyclohexyl-1-phenyl-1-propanol ethiodide3-Diethylamino-1-phenyl-1-cyclohexyl-1-propanol ethiodidealpha-(2-Diethylaminoethyl)-alpha-phenylcyclohexanemethanol ethiodideCHEBI:9704DTXSID008753513-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium iodide
Database identifiers
- CAS
125-99-5- PubChem CID
- 31334
- DTXSID
DTXSID00875351- ChEMBL
CHEMBL2107686- ChEBI
CHEBI:9704- UNII
- 7Y7FXO7GQP
- EC Number
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 179 · 179-184°
- FDA UNII
- 7 Y7FXO7GQP · 7Y7FXO7GQP
- ATC code
- 3 AB08 · A03AB08
- Toxicity
- 50 oral · LD50 oral in rat: 1100mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 1100mg/kg
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Additional notes
DefinitionChEBI: Tridihexethyl iodide is an organic iodide salt. It contains a tridihexethyl.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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