Basic information
- CAS
63123-27-3- Standard SMILES
CCN1C(=Cc2ccc3ccccc3[n+]2CC)Oc2ccccc21.[I-]- InChIKey
IOMLIHYTQVTFGV-UHFFFAOYSA-M- Molecular formula
- C21H21N2O.I
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 444.06986
Names & identifiers
- Preferred name
- Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)
- IUPAC
- 3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoxazole iodide
Names & synonyms
63123-27-3EINECS 263-874-4DTXSID90886537Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodideQuinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)Quinolinium, 1-ethyl-2-[(3-ethyl-2(3H)-benzoxazolylidene)methyl]-, iodideQuinolinium, 1-ethyl-2-[(3-ethyl-2(3H)-benzoxazolylidene)methyl]-, iodide (1:1)RefChem:178279DTXCID0010258611-Ethyl-2-((3-ethyl-3H-benzoxazol-2-ylidene)methyl)quinolinium iodide1-ETHYL-2-[(3-ETHYL-3H-BENZOXAZOL-2-YLIDENE)METHYL]QUINOLINIUM IODIDEIOMLIHYTQVTFGV-UHFFFAOYSA-M
Show more names
DB-216093NS000556911-Ethyl-2-[(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)methyl]quinolin-1-ium iodide
Database identifiers
- CAS
63123-27-3- PubChem CID
- 112562
- DTXSID
DTXSID90886537
Properties
Computed structural properties
- Topological polar surface area
- 16.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
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: Quinolinium, 1-ethyl-2-[(3-ethyl-2(3H)-benzoxazolylidene)methyl]-, iodide
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinolinium, 1-ethyl-2-[(3-ethyl-2(3H)-benzoxazolylidene)methyl]-, iodide (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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