Basic information
- CAS
51787-43-0- Standard SMILES
Cc1cc(C)c2nc3ccc4ccccc4c3c(C)c2c1- InChIKey
NTKONJVWYHNEEK-UHFFFAOYSA-N- Molecular formula
- C20H17N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.13609955
Names & identifiers
- Preferred name
- Benz(a)acridine, 8,10,12-trimethyl-
- IUPAC
- 8,10,12-trimethylbenzo[a]acridine
- English name
- 8,10,12-Trimethylbenz[a]acridine
- Molecular formula
- C20H17N
- Molecular weight
- 271.36
Names & synonyms
BENZ(a)ACRIDINE, 8,10,12-TRIMETHYL-BRN 02066721,3,10-Trimethyl-5,6-benzacridine [French]51787-43-01,3,10-Trimethyl-5,6-benzacridineDTXSID801997094-20-00-04325 (Beilstein Handbook Reference)RefChem:320997DTXCID901222008,10,12-trimethylbenzo[a]acridine8,10,12-Trimethylbenz[a]acridineDB-307424
Show more names
Benz[a]acridine, 8,10,12-trimethyl-
Database identifiers
- CAS
51787-43-0- PubChem CID
- 40129
- DTXSID
DTXSID80199709- Nikkaji
- J57.885A
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
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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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