Basic information
- CAS
63018-68-8- Standard SMILES
Cc1c2ccc3ccccc3c2c(C)c2cccc(C#N)c12- InChIKey
SKUYSBCTPIYMFW-UHFFFAOYSA-N- Molecular formula
- C21H15N
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.12044948
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-CYANO-7,12-DIMETHYL-
- IUPAC
- 7,12-dimethylbenzo[a]anthracene-8-carbonitrile
- English name
- 7,12-Dimethylbenz[a]anthracene-8-carbonitrile
- Molecular formula
- C21H15N
- Molecular weight
- 281.35
Names & synonyms
63018-68-8BENZ(a)ANTHRACENE, 8-CYANO-7,12-DIMETHYL-7,12-Dimethylbenz(a)anthracene-8-carbonitrile7,12-Dimethylbenz[a]anthracene-8-carbonitrileBRN 33498775-Cyano-9,10-dimethyl-1,2-benzanthracene7,12-dimethyltetraphene-8-carbonitrile4-09-00-02752 (Beilstein Handbook Reference)DTXSID90212251DB-307225Benz[a]anthracene-8-carbonitrile, 7,12-dimethyl-
Database identifiers
- CAS
63018-68-8- PubChem CID
- 44271
- DTXSID
DTXSID90212251- Nikkaji
- J73.181A
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 414.02 °C · 414.02°C (rough estimate)
- Density
- 1.0232 · 1.0232 (rough estimate)
- refractive index
- 1.824 · 1.8240 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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