Benz(a)anthracene, 7-ethyl-12-methyl-
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Basic information
- CAS
16354-50-0- Standard SMILES
CCc1c2ccccc2c(C)c2c1ccc1ccccc12- InChIKey
KGHAOMPXHGIHAL-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7-ethyl-12-methyl-
- IUPAC
- 7-ethyl-12-methylbenzo[a]anthracene
- English name
- 7-ETHYL-12-METHYLBENZ(A)ANTHRACENE
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
Benz(a)anthracene, 7-ethyl-12-methyl-16354-50-07-Ethyl-12-methylbenz(a)anthracene7-Ethyl-12-methylbenz[a]anthracene7-ethyl-12-methylbenzo[a]anthraceneN4TDL2VZQ4CCRIS 15357-ETHYL-12-METHYLBENZO(A)ANTHRACENEBRN 33015337-ETHYL-12-METHYLTETRAPHENEUNII-N4TDL2VZQ4DTXSID30167610
Show more names
KGHAOMPXHGIHAL-UHFFFAOYSA-N
Database identifiers
- CAS
16354-50-0- PubChem CID
- 85373
- DTXSID
DTXSID30167610- UNII
- N4TDL2VZQ4
- Nikkaji
- J35.544E
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 70 · 70-71.5 °C
- Boiling point
- 232.5 °C · 232.5°C
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.764 · 1.7640 (estimate)
- FDA UNII
- 4 TDL2VZQ4 · N4TDL2VZQ4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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