Basic information
- CAS
63020-47-3- Standard SMILES
CC(C)c1cccc2cc3c(ccc4ccccc43)cc12- InChIKey
NGMWIFWFBDGYLI-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-ISOPROPYL-
- IUPAC
- 8-propan-2-ylbenzo[a]anthracene
- English name
- 8-Isopropylbenz[a]anthracene
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
BENZ(a)ANTHRACENE, 8-ISOPROPYL-63020-47-38-Isopropylbenz(a)anthracene5-Isopropyl-1:2-benzanthracene48CDW8XRE78-Isopropylbenz[a]anthraceneBRN 32828518-(propan-2-yl)tetrapheneUNII-48CDW8XRE75-Isopropyl-l,2-benzanthracenDTXSID302122908-PROPAN-2-YLBENZO(A)ANTHRACENE
Show more names
Benz[a]anthracene, 8-(1-methylethyl)-
8-(1-METHYLETHYL)BENZ(A)ANTHRACENEDB-318451
Database identifiers
- CAS
63020-47-3- PubChem CID
- 44313
- DTXSID
DTXSID30212290- UNII
- 48CDW8XRE7
- Nikkaji
- J73.225G
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Boiling point
- 480.48 °C · 480.48°C (rough estimate)
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.712 · 1.7120 (estimate)
- FDA UNII
- 48 CDW8XRE7 · 48CDW8XRE7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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