Basic information
- CAS
18636-32-3- Standard SMILES
Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C- InChIKey
DSUJCACXEBHAAS-UHFFFAOYSA-N- Molecular formula
- C14H14N4O2
- Average molar mass
- 270.29 g/mol
- Monoisotopic mass
- 270.1116757
Overview
structure
Names & identifiers
- Preferred name
- 3-Methyllumiflavin
- IUPAC
- 3,7,8,10-tetramethylbenzo[g]pteridine-2,4-dione
- English name
- Benzo[g]pteridine-2,4(3H,10H)-dione, 3,7,8,10-tetramethyl-
- Molecular formula
- C14H14N4O2
- Molecular weight
- 270.29
Names & synonyms
3-Methyllumiflavin18636-32-3DTXSID60171881RefChem:94929DTXCID4094372Isoalloxazine, 3,7,8,10-tetramethyl-Benzo(g)pteridine-2,4(3H,10H)-dione, 3,7,8,10-tetramethyl-Benzo[g]pteridine-2,4(3H,10H)-dione, 3,7,8,10-tetramethyl-3,7,8,10-Tetramethylbenzo[g]pteridine-2,4(3H,10H)-dione3-Methyllumiflavine3,7,8,10-tetramethylbenzo[g]pteridine-2,4-dione3,6,7,9-Tetramethylisoalloxazine
Show more names
3,7,8,10-Tetramethyl-2,3,4,10-tetrahydropyrimido[4,5-b]quinoxaline-2,4-dione
3-Methyl-lumiflavineSCHEMBL14399199DSUJCACXEBHAAS-UHFFFAOYSA-N
Database identifiers
- CAS
18636-32-3- PubChem CID
- 87733
- DTXSID
DTXSID60171881- Nikkaji
- J112.471D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 539
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 286 °C · 286 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 440.7 · 440.7±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -1.96 · -1.96±0.20(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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