Basic information
- CAS
3441-44-9- Standard SMILES
CCC(C)[n+]1cc([O-])on1- InChIKey
SHJLCCKPLRBXKH-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.07422757
Names & identifiers
- Preferred name
- 1,2,3-oxadiazolium, 5-hydroxy-3-(1-methylpropyl)-, inner salt
- IUPAC
- 3-butan-2-yloxadiazol-3-ium-5-olate
- English name
- 3-sec-butyl-1,2,3-oxadiazolidin-5-one
- Molecular formula
- C6H12N2O2
- Molecular weight
- 144.17168
Names & synonyms
3-sec-Butylsydnone3441-44-9Sydnone, 3-sec-butyl-BRN 4135853Sydnone, 3-(1-methylpropyl)-EINECS 222-350-51,2,3-Oxadiazolium, 5-hydroxy-3-(1-methylpropyl)-, inner saltRefChem:713881,2,3-Oxadiazolium, 5-hydroxy-3-(1-methylpropyl)-, inner salt (9CI)3-sec-Butyl-1,2,3-oxadiazolidin-5-one3-s-butylsydnone3-(butan-2-yl)-1,2,3-oxadiazol-3-ium-5-olate
Show more names
3-(1-Methylpropyl)sydnone
DTXSID601183344NSC56792NSC-56792
Database identifiers
- CAS
3441-44-9- PubChem CID
- 103010
- DTXSID
DTXSID601183344- EC Number
- 222-350-5
- Nikkaji
- J191.891E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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