Basic information
- CAS
63040-05-1- Standard SMILES
Cc1cc2c(C)c3cccc(C)c3nc2c2ccccc12- InChIKey
VIGMHZZIQKVVHQ-UHFFFAOYSA-N- Molecular formula
- C20H17N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.13609955
Names & identifiers
- Preferred name
- BENZ(c)ACRIDINE, 5,7,11-TRIMETHYL-
- IUPAC
- 5,7,11-trimethylbenzo[c]acridine
- English name
- 5,7,11-Trimethylbenz[c]acridine
- Molecular formula
- C20H17N
- Molecular weight
- 271.36
Names & synonyms
BENZ(c)ACRIDINE, 5,7,11-TRIMETHYL-63040-05-15,7,11-Trimethylbenz(c)acridine5,7,11-Trimethylbenz[c]acridineBRN 02298315,7,11-trimethylbenzo[c]acridine3,5,9-Trimethyl-1:2-benzacridine1,6,10 Trimethyl,7:8 benzacridine [French]1,6,10 Trimethyl,7:8 benzacridineDTXSID10212334DB-306355Benz[c]acridine, 5,7,11-trimethyl-
Database identifiers
- CAS
63040-05-1- PubChem CID
- 44342
- DTXSID
DTXSID10212334- Nikkaji
- J57.890H
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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