Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride
Basic information
- CAS
37744-08-4- Standard SMILES
COc1ccc(CC[n+]2cc(N)on2)cc1OC.[Cl-]- InChIKey
IFXCFKKPCYIYIU-UHFFFAOYSA-M- Molecular formula
- C12H16ClN3O3
- Average molar mass
- 285.73 g/mol
- Monoisotopic mass
- 285.0880191
Names & identifiers
- Preferred name
- Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride
- IUPAC
- 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-amine chloride
Names & synonyms
37744-08-43-(2-(3,4-Dimethoxyphenyl)ethyl)sydnone imine monohydrochlorideSydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochlorideRefChem:3827255-Amino-3-(3,4-dimethoxyphenethyl)-1,2,3-oxadiazol-3-ium chlorideDTXSID00958779AKOS0052155625-Amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-3H-1,2,3-oxadiazol-1-ium chloride
Database identifiers
- CAS
37744-08-4- PubChem CID
- 216813
- DTXSID
DTXSID00958779
Properties
Computed structural properties
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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