Basic information
- CAS
63148-86-7- Standard SMILES
CCn1c(C=CNc2ccccc2)[n+](CCC(C)S(=O)(=O)[O-])c2cc(Cl)c(Cl)cc21- InChIKey
FQBBPSDOXCQKMM-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2N3O3S
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 467.0837182
Names & identifiers
- Preferred name
- 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-(2-(phenylamino)ethenyl)-3-(3-sulfobutyl)-, inner salt
- IUPAC
- 4-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonate
Names & synonyms
EINECS 263-938-163148-86-71H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-(2-(phenylamino)ethenyl)-3-(3-sulfobutyl)-, inner salt1H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-[2-(phenylamino)ethenyl]-3-(3-sulfobutyl)-, inner saltRefChem:79715
Database identifiers
- CAS
63148-86-7- PubChem CID
- 112592
- EC Number
- 263-938-1
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-[2-(phenylamino)ethenyl]-3-(3-sulfobutyl)-, inner salt: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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