BENZ(a)ANTHRACENE, 8-BUTYL-
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Basic information
- CAS
63018-64-4- Standard SMILES
CCCCc1cccc2cc3c(ccc4ccccc43)cc12- InChIKey
HMFLIULWWNWGBP-UHFFFAOYSA-N- Molecular formula
- C22H20
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.15650064
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-BUTYL-
- IUPAC
- 8-butylbenzo[a]anthracene
- English name
- 8-Butylbenz[a]anthracene
- Molecular formula
- C22H20
- Molecular weight
- 284.39
Names & synonyms
63018-64-4BENZ(a)ANTHRACENE, 8-BUTYL-8-Butylbenz(a)anthracene8-Butylbenz[a]anthracene8-butyltetrapheneBRN 25261955-n-Butyl-1,2-benzanthracene5-Butyl-1,2-benzanthracen3-05-00-02435 (Beilstein Handbook Reference)DTXSID20212249DB-318429Benz[a]anthracene, 8-butyl-
Database identifiers
- CAS
63018-64-4- PubChem CID
- 44269
- DTXSID
DTXSID20212249- Nikkaji
- J73.178A
Properties
Computed structural propertiesFilling in
- XLogP
- 7.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Boiling point
- 493.89 °C · 493.89°C (rough estimate)
- Density
- 1.056 · 1.0560 (estimate)
- refractive index
- 1.677 · 1.6770 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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