Basic information
- CAS
67510-35-4- Standard SMILES
CC(Cc1ccccc1)[n+]1cc(NC(=O)N(C)C)on1.[Cl-]- InChIKey
LYTHLFCTSXRSJJ-UHFFFAOYSA-N- Molecular formula
- C14H19ClN4O2
- Average molar mass
- 310.78 g/mol
- Monoisotopic mass
- 310.1196536
Names & identifiers
- Preferred name
- Sydnone imine, N-((dimethylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-, monohydrochloride
- IUPAC
- 1,1-dimethyl-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea chloride
Names & synonyms
Sydnone imine, N-((dimethylamino)carbonyl)-3-(1-methyl-2-phenylethyl)-, monohydrochloride67510-35-4RefChem:1099330N-((Dimethylamino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine monohydrochloride
Database identifiers
- CAS
67510-35-4- PubChem CID
- 3051603
Properties
Computed structural properties
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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