Basic information
- CAS
6992-73-0- Standard SMILES
CC[n+]1c(C=CN(C(C)=O)c2ccccc2)oc2ccccc21.[I-]- InChIKey
SGSGUFNNYSEVCY-UHFFFAOYSA-M- Molecular formula
- C19H19IN2O2
- Average molar mass
- 434.3 g/mol
- Monoisotopic mass
- 434.04913
Overview
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Names & identifiers
- Preferred name
- Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide
- IUPAC
- N-[2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide
- English name
- 2-[2-(acetylphenylamino)vinyl]-3-ethylbenzoxazolium iodide
- Molecular formula
- C19H19IN2O2
- Molecular weight
- 434.27083
Names & synonyms
6992-73-0Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodideSCHEMBL8376897SGSGUFNNYSEVCY-UHFFFAOYSA-M3-Ethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide2-[2-(acetylphenylamino)vinyl]-3-ethylbenzoxazolium iodide
Database identifiers
- CAS
6992-73-0- PubChem CID
- 52288
- DTXSID
DTXSID60884348- EC Number
- 230-261-8
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide (6992-73-0)
- 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
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
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Compound notes
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