Basic information
- CAS
63040-02-8- Standard SMILES
Cc1cc2nc3ccc4ccccc4c3c(C)c2cc1C- InChIKey
CWOZJMDRFAMWLF-UHFFFAOYSA-N- Molecular formula
- C20H17N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.13609955
Names & identifiers
- Preferred name
- BENZ(a)ACRIDINE, 9,10,12-TRIMETHYL-
- IUPAC
- 9,10,12-trimethylbenzo[a]acridine
- English name
- 9,10,12-Trimethylbenz[a]acridine
- Molecular formula
- C20H17N
- Molecular weight
- 271.36
Names & synonyms
BENZ(a)ACRIDINE, 9,10,12-TRIMETHYL-9,10,12-Trimethylbenz[a]acridine5,7,8-Trimethyl-3:4-benzacridine63040-02-8BRN 0206679DTXSID502123334-20-00-04326 (Beilstein Handbook Reference)9,10,12-Trimethylbenz(a)acridineRefChem:320999DTXCID50134824CWOZJMDRFAMWLF-UHFFFAOYSA-N2,3,10 Trimethyl,5:6 benzacridine
Show more names
Benz[a]acridine, 9,10,12-trimethyl-
9,10,12-trimethylbenzo[a]acridine2,3,10 Trimethyl,5:6 benzacridine [French]SCHEMBL174233709,10,12-trimethyl-benz(a)acridineDB-307537
Database identifiers
- CAS
63040-02-8- PubChem CID
- 44341
- DTXSID
DTXSID50212333- Nikkaji
- J57.886J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 404.44 °C · 404.44°C (rough estimate)
- Density
- 0.969 · 0.9690 (rough estimate)
- refractive index
- 1.72 · 1.7200 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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