Basic information
- CAS
29396-22-3- Standard SMILES
Cc1c(N)on[n+]1C1CCCCC1.[Cl-]- InChIKey
QTSFVHLKHHJNON-UHFFFAOYSA-M- Molecular formula
- C9H16ClN3O
- Average molar mass
- 217.69 g/mol
- Monoisotopic mass
- 217.0981898
Names & identifiers
- Preferred name
- 5-Amino-3-cyclohexyl-4-methyl-3H-1,2,3-oxadiazol-1-ium chloride
- IUPAC
- 3-cyclohexyl-4-methyloxadiazol-3-ium-5-amine chloride
- English name
- 3-cyclohexyl-4-methyl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-amine chloride
- Molecular formula
- C9H16ClN3O
- Molecular weight
- 217.7
Names & synonyms
29396-22-3DTXSID209519295-Amino-3-cyclohexyl-4-methyl-3H-1,2,3-oxadiazol-1-ium chlorideRefChem:1072627DTXCID0013800333-Cyclohexyl-4-methylsydnone imine hydrochlorideSydnone imine, 3-cyclohexyl-4-methyl-, monohydrochloride3-cyclohexyl-4-methyl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-amine chloride
Database identifiers
- CAS
29396-22-3- PubChem CID
- 207231
- DTXSID
DTXSID20951929
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 170
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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