Basic information
- CAS
25486-91-3- Standard SMILES
Cc1c2c(c(C)c3c1ccc1ccccc13)CCCC2- InChIKey
YHUGRZOJDNHSJC-UHFFFAOYSA-N- Molecular formula
- C20H20
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.15650064
Names & identifiers
- Preferred name
- 7,12-Dimethyl-8,9,10,11-tetrahydrobenz(a)anthracene
- IUPAC
- 7,12-dimethyl-8,9,10,11-tetrahydrobenzo[a]anthracene
- English name
- 8,9,10,11-Tetrahydro-7,12-dimethylbenz[a]anthracene
- Molecular formula
- C20H20
- Molecular weight
- 260.37
Names & synonyms
CCRIS 18767,12-Dimethyl-8,9,10,11-tetrahydrobenz(a)anthraceneUNII-A2R6XD4Y5QA2R6XD4Y5QBRN 2453948BENZ(a)ANTHRACENE, 8,9,10,11-TETRAHYDRO-7,12-DIMETHYL-8,9,10,11-Tetrahydro-7,12-dimethylbenz(a)anthracene7,12-dimethyl-8,9,10,11-tetrahydrotetrapheneJ35.574G8,9,10,11-Tetrahydro-7,12-dimethylbenz[a]anthraceneDTXSID40180173RefChem:199143
Show more names
Benz[a]anthracene, 8,9,10,11-tetrahydro-7,12-dimethyl-
DTXCID5010266425486-91-3Q27273540
Database identifiers
- CAS
25486-91-3- PubChem CID
- 33012
- DTXSID
DTXSID40180173- UNII
- A2R6XD4Y5Q
- Nikkaji
- J35.574G
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 338.63 °C · 338.63°C (rough estimate)
- Density
- 1.023 · 1.0230 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
- FDA UNII
- 2 R6XD4Y5Q · A2R6XD4Y5Q
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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