Basic information
- CAS
68134-36-1- Standard SMILES
CN(CCO)c1ccc(C=CC2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1.[Cl-]- InChIKey
XOUITCWYQKMKNU-UHFFFAOYSA-M- Molecular formula
- C22H26ClN2O.Cl
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 404.1422188
Names & identifiers
- Preferred name
- 3H-Indolium, 5-chloro-2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)
- IUPAC
- 2-[4-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]ethanol chloride
Names & synonyms
68134-36-1DTXSID808871943H-Indolium, 5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride3H-Indolium, 5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)EINECS 268-748-23H-Indolium, 5-chloro-2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride3H-Indolium, 5-chloro-2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)RefChem:95811DTXCID4010265041,3,3-Trimethyl-5-chloro-2-(2-(4-(N-methyl-N-beta-hydroxyethylamino)phenyl)vinyl)indolium chlorideXOUITCWYQKMKNU-UHFFFAOYSA-M5-Chloro-2-(2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}ethen-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
Database identifiers
- CAS
68134-36-1- PubChem CID
- 109596
- DTXSID
DTXSID80887194- EC Number
- 268-748-2
Properties
Computed structural properties
- Topological polar surface area
- 26.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 3H-Indolium, 5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Indolium, 5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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