Basic information
- CAS
18916-44-4- Standard SMILES
Cc1cnc2ccccc2[n+]1[O-]- InChIKey
KMMAYSLYWWTEKF-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 2-Methylquinoxaline 1-oxide
- IUPAC
- 2-methyl-1-oxidoquinoxalin-1-ium
- English name
- Quinoxaline, 2-methyl-, 1-oxide
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
2-Methylquinoxaline 1-oxide18916-44-4Quinoxaline, 2-methyl-, 1-oxideMFCD184315912-METHYLQUINOXALIN-1-IUM-1-OLATE2-methyl-1-oxidoquinoxalin-1-iummethylquinoxaline N-oxideSCHEMBL27913228AC9519SY263369Quinoxaline, 2-methyl-, 1-oxide
Database identifiers
- CAS
18916-44-4- PubChem CID
- 588784
- DTXSID
DTXSID501304113- Nikkaji
- J112.990B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 331.9 · 331.9±34.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 0.85 · 0.85±0.30(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
CHEMSTEP[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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