Basic information
- CAS
5123-98-8- Standard SMILES
CC(C)[n+]1cc(N)on1.[Cl-]- InChIKey
VWFKBBVQLMSINJ-UHFFFAOYSA-M- Molecular formula
- C5H10ClN3O
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0512396
Names & identifiers
- Preferred name
- Sydnone imine, 3-isopropyl-, monohydrochloride
- IUPAC
- 3-propan-2-yloxadiazol-3-ium-5-amine chloride
- English name
- 5-Amino-3-(1-methylethyl)-1,2,3-oxadiazolium, inner salt hydrochloride
- Molecular formula
- C5H10ClN3O
- Molecular weight
- 163.61
Names & synonyms
Sydnone imine, 3-isopropyl-, monohydrochlorideRefChem:10993145123-98-83-Isopropylsydnone imine hydrochloride5-Amino-3-isopropyl-1,2,3-oxadiazol-3-ium chlorideAI3-61268Sydnone imine, 3-(1-methylethyl)-, monohydrochlorideDTXSID90965497AKOS0052157175-Amino-3-(propan-2-yl)-3H-1,2,3-oxadiazol-1-ium chloride5-amino-3-(1-methylethyl)-1,2,3-oxadiazolium hydrochloride5-Amino-3-(1-methylethyl)-1,2,3-oxadiazolium, inner salt hydrochloride
Database identifiers
- CAS
5123-98-8- PubChem CID
- 199857
- DTXSID
DTXSID90965497
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 96.2
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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