Basic information
- CAS
28082-84-0- Standard SMILES
Cc1ccc2[nH]c(=O)c(C)nc2c1- InChIKey
GYAWPCDVXKFLSF-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 3,6-Dimethyl-2(1H)-quinoxalinone
- IUPAC
- 3,6-dimethyl-1H-quinoxalin-2-one
- English name
- 2(1H)-Quinoxalinone, 3,6-dimethyl-
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
28082-84-03,6-Dimethyl-2(1H)-quinoxalinoneRefChem:2724023,6-Dimethylquinoxalin-2(1H)-one3,6-dimethyl-1,2-dihydroquinoxalin-2-oneCHEMBL51949553,6-dimethyl-1H-quinoxalin-2-one2(1H)-Quinoxalinone, 3,6-dimethyl-3,6-dimethyl-2-quinoxaloneSCHEMBL14765197SCHEMBL15383508DTXSID401303162
Show more names
BDBM50591704DB-280542AK-830/40406137
Database identifiers
- CAS
28082-84-0- PubChem CID
- 11636895
- DTXSID
DTXSID401303162- ChEMBL
CHEMBL5194955- Nikkaji
- J1.268.130E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 254 · 254-255 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 9.65 · 9.65±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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