Basic information
- CAS
63040-01-7- Standard SMILES
Cc1ccc2c(ccc3nc4c(C)cccc4c(C)c32)c1- InChIKey
YTPOEHQOFUXVSH-UHFFFAOYSA-N- Molecular formula
- C20H17N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.13609955
Names & identifiers
- Preferred name
- BENZ(a)ACRIDINE, 3,8,12-TRIMETHYL-
- IUPAC
- 3,8,12-trimethylbenzo[a]acridine
- English name
- 3,8,12-Trimethylbenz[a]acridine
- Molecular formula
- C20H17N
- Molecular weight
- 271.36
Names & synonyms
BENZ(a)ACRIDINE, 3,8,12-TRIMETHYL-63040-01-7BRN 02169383,8,12-Trimethylbenz[a]acridine3,8,12-trimethylbenzo[a]acridine1,10,3'-Trimethyl-5,6-benzacridine [French]1,10,3'-Trimethyl-5,6-benzacridine4-20-00-04324 (Beilstein Handbook Reference)DTXSID90212332DB-304298Benz[a]acridine, 3,8,12-trimethyl-
Database identifiers
- CAS
63040-01-7- PubChem CID
- 44340
- DTXSID
DTXSID90212332- Nikkaji
- J57.891F
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
- Melting point
- 118 °C · 118 °C
- Boiling point
- 404.44 °C · 404.44°C (rough estimate)
- Density
- 0.969 · 0.9690 (rough estimate)
- refractive index
- 1.72 · 1.7200 (estimate)
- pka
- 6 · 6+-.0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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