Basic information
- CAS
163968-99-8- Standard SMILES
CCOc1c2c(c(OCC)c3ccccc13)C(N)=NC2=N- InChIKey
RGACNZNNZCFKQY-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- 4,9-Diethoxy-1-imino-1H-benzo[F]isoindol-3-amine
- IUPAC
- 4,9-diethoxy-3-iminobenzo[f]isoindol-1-amine
Names & synonyms
163968-99-8SCHEMBL49567444,9-DIETHOXY-1-IMINO-1H-BENZO[F]ISOINDOL-3-AMINEDTXSID90621546
Database identifiers
- CAS
163968-99-8- PubChem CID
- 22016378
- DTXSID
DTXSID90621546
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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