1-Oxido-3-propan-2-ylquinoxalin-1-ium
Basic information
- CAS
16080-16-3- Standard SMILES
CC(C)c1c[n+]([O-])c2ccccc2n1- InChIKey
WXCMCEUPVXGUDC-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 1-Oxido-3-propan-2-ylquinoxalin-1-ium
- IUPAC
- 1-oxido-3-propan-2-ylquinoxalin-1-ium
- English name
- 2-Isopropylquinoxaline4-oxide
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
1-oxido-3-propan-2-ylquinoxalin-1-ium16080-16-3DTXSID80344813RefChem:232810DTXCID502958881-Oxo-3-(propan-2-yl)-1lambda~5~-quinoxaline2-Isopropylquinoxaline4-oxide3-Isopropylquinoxaline 1-oxideQuinoxaline, 2-(1-methylethyl)-, 4-oxide
Database identifiers
- CAS
16080-16-3- PubChem CID
- 599692
- DTXSID
DTXSID80344813- Nikkaji
- J103.790K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 95 · 95-96 °C
- Boiling point
- 316.5 · 316.5±34.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 1.04 · 1.04±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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