Basic information
- CAS
24136-83-2- Standard SMILES
CC[n+]1c(C=CC=CC=CN(C(C)=O)c2ccccc2)oc2ccccc21.[I-]- InChIKey
FHBDIRWBXNKVRI-UHFFFAOYSA-M- Molecular formula
- C23H23IN2O2
- Average molar mass
- 486.3 g/mol
- Monoisotopic mass
- 486.08043
Names & identifiers
- Preferred name
- Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrien-1-yl]-3-ethyl-, iodide (1:1)
- IUPAC
- N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide iodide
- English name
- 2-(6-(Acetyl-phenyl-amino)-hexa-1,3,5-trienyl)-3-ethyl-benzooxazol-3-ium, iodide
- Molecular formula
- C23H23IN2O2
- Molecular weight
- 486.35
Names & synonyms
24136-83-22-(6-Acetanilido-1,3,5-hexatrienyl)-3-ethylbenzoxazolium iodideDTXSID80885256Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodideBenzoxazolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrien-1-yl)-3-ethyl-, iodide (1:1)Benzoxazolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrienyl)-3-ethyl-, iodideBenzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrien-1-yl]-3-ethyl-, iodide (1:1)RefChem:118713DTXCID601024647FHBDIRWBXNKVRI-UHFFFAOYSA-MAKOS0244288843-Ethyl-2-[6-(N-phenylacetamido)hexa-1,3,5-trien-1-yl]-1,3-benzoxazol-3-ium iodide
Show more names
2-[6-(N-acetyl-anilino)-hexa-1,3,5-trienyl]-3-ethyl-benzooxazolium2-(6-(Acetyl-phenyl-amino)-hexa-1,3,5-trienyl)-3-ethyl-benzooxazol-3-ium, iodide
N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide;iodide
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide (24136-83-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrien-1-yl]-3-ethyl-, iodide (1:1): INACTIVE
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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