Basic information
- CAS
54229-25-3- Standard SMILES
CNc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)N(C)C2=O- InChIKey
VYOCMAQYLOBQAS-UHFFFAOYSA-N- Molecular formula
- C14H12N2O5S
- Average molar mass
- 320.32 g/mol
- Monoisotopic mass
- 320.04669266
Names & identifiers
- Preferred name
- 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid
- IUPAC
- 2-methyl-6-(methylamino)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
Names & synonyms
DTXSID108682392-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid54229-25-3
Database identifiers
- CAS
54229-25-3- PubChem CID
- 166408
- DTXSID
DTXSID10868239
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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