Isoxazole, 3-(p-chlorophenyl)-5-(2-(dimethylamino)ethyl)-, hydrochloride
Basic information
- CAS
6076-04-6- Standard SMILES
C[NH+](C)CCc1cc(-c2ccc(Cl)cc2)no1.[Cl-]- InChIKey
JSXKORXAQASWID-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N2O
- Average molar mass
- 287.18 g/mol
- Monoisotopic mass
- 286.0639685
Names & identifiers
- Preferred name
- Isoxazole, 3-(p-chlorophenyl)-5-(2-(dimethylamino)ethyl)-, hydrochloride
- IUPAC
- 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethyl-dimethylazanium chloride
Names & synonyms
3-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)isoxazole hydrochloride6076-04-6ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(2-(DIMETHYLAMINO)ETHYL)-, HYDROCHLORIDERefChem:350208
Database identifiers
- CAS
6076-04-6- PubChem CID
- 22453
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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