Basic information
- CAS
63149-22-4- Standard SMILES
CCn1c(C)cc(C=Cc2oc3ccccc3[n+]2CC)c1C.[Cl-]- InChIKey
JDXLARMHNZWEIS-UHFFFAOYSA-M- Molecular formula
- C19H23N2O.Cl
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1498911
Names & identifiers
- Preferred name
- Benzoxazolium, 3-ethyl-2-(2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl)-, chloride (1:1)
- IUPAC
- 3-ethyl-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium chloride
Names & synonyms
63149-22-4EINECS 263-960-1DTXSID90886552Benzoxazolium, 3-ethyl-2-(2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl)-, chlorideBenzoxazolium, 3-ethyl-2-(2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl)-, chloride (1:1)Benzoxazolium, 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl]-, chlorideBenzoxazolium, 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl]-, chloride (1:1)RefChem:118728DTXCID1010258763-Ethyl-2-(2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl)benzoxazolium chloride3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolium chlorideSCHEMBL28481933
Show more names
JDXLARMHNZWEIS-UHFFFAOYSA-MDB-2524703-Ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethen-1-yl]-1,3-benzoxazol-3-ium chloride
Database identifiers
- CAS
63149-22-4
Properties
Computed structural properties
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
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: Benzoxazolium, 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl]-, chloride
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazolium, 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethenyl]-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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