Basic information
- CAS
36911-95-2- Standard SMILES
CCc1cccc2c(CC)c3c(ccc4ccccc43)cc12- InChIKey
XDDDKXVKDBLVOT-UHFFFAOYSA-N- Molecular formula
- C22H20
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.15650064
Names & identifiers
- Preferred name
- Benz(a)anthracene, 8,12-diethyl-
- IUPAC
- 8,12-diethylbenzo[a]anthracene
- English name
- Benz(a)anthracene, 8,12-diethyl-
- Molecular weight
- 0
Names & synonyms
Benz(a)anthracene, 8,12-diethyl-8,12-Diethylbenz(a)anthracene36911-95-2BRN 22749088,12-Diethylbenz[a]anthraceneDTXSID60190395RefChem:117068DTXCID70112886XDDDKXVKDBLVOT-UHFFFAOYSA-N8,12-diethyltetraphene
Database identifiers
- CAS
36911-95-2- PubChem CID
- 215975
- DTXSID
DTXSID60190395- Nikkaji
- J35.526G
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
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)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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