Basic information
- CAS
63019-34-1- Standard SMILES
CCCCCCc1cccc2cc3c(ccc4ccccc43)cc12- InChIKey
MEKZGSBPYQRPFK-UHFFFAOYSA-N- Molecular formula
- C24H24
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.18780077
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-HEXYL-
- IUPAC
- 8-hexylbenzo[a]anthracene
- English name
- 8-Hexylbenz[a]anthracene
- Molecular formula
- C24H24
- Molecular weight
- 312.45
Names & synonyms
BENZ(a)ANTHRACENE, 8-HEXYL-8-Hexylbenz(a)anthracene63019-34-18-Hexylbenz[a]anthraceneNAJ3P7IIL08-hexyltetraphene5-n-Hexyl-1,2-benzanthaceneBRN 3296416UNII-NAJ3P7IIL03-05-00-02444 (Beilstein Handbook Reference)DTXSID20212264DB-318446
Show more names
Benz[a]anthracene, 8-hexyl-
Database identifiers
- CAS
63019-34-1- PubChem CID
- 44283
- DTXSID
DTXSID20212264- UNII
- NAJ3P7IIL0
- Nikkaji
- J73.224I
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 519.36 °C · 519.36°C (rough estimate)
- Density
- 1.0341 · 1.0341 (estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- FDA UNII
- 3 P7IIL0 · NAJ3P7IIL0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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