Basic information
- CAS
3301-75-5- Standard SMILES
O=Cc1c2ccccc2nc2c1ccc1ccccc12- InChIKey
HKQQQSBJRUTJNW-UHFFFAOYSA-N- Molecular formula
- C18H11NO
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.08406397
Names & identifiers
- Preferred name
- Benz(c)acridine-7-carboxaldehyde
- IUPAC
- benzo[c]acridine-7-carbaldehyde
- English name
- Benz[c]acridine-7-carbaldehyde
- Molecular formula
- C18H11NO
- Molecular weight
- 0
Names & synonyms
Benz(c)acridine-7-carboxaldehyde3,4-Benzacridine-9-aldehyde7-Formylbenz(c)acridine3301-75-5BRN 0187368DTXSID101866474-21-00-04469 (Beilstein Handbook Reference)RefChem:321059DTXCID50109138benzo[c]acridine-7-carbaldehydeBenz[c]acridine-7-carbaldehydeSCHEMBL6646525
Database identifiers
- CAS
3301-75-5- PubChem CID
- 76805
- DTXSID
DTXSID10186647- Nikkaji
- J35.255A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 400.54 °C · 400.54°C (rough estimate)
- Density
- 1.1441 · 1.1441 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- Toxicity
- 10 mg/plate · mma-sat 10 mg/plate CRNGDP 7,23,86
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mma-sat 10 mg/plate CRNGDP 7,23,86
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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