Basic information
- CAS
82507-22-0- Standard SMILES
Nc1cc2cccc3ccc4cc5ccccc5c1c4c32- InChIKey
TUBZHGZORWJWIY-UHFFFAOYSA-N- Molecular formula
- C20H13N
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10479942
Names & identifiers
- Preferred name
- 11-Aminobenzo(a)pyrene
- IUPAC
- benzo[a]pyren-11-amine
- English name
- 11-aminobenzo(a)pyrene
- Molecular weight
- 0
Names & synonyms
11-Aminobenzo(a)pyreneBENZO(a)PYREN-11-AMINE82507-22-0DTXSID60231813RefChem:77782DTXCID90154304benzo[pqr]tetraphen-11-amine
Database identifiers
- CAS
82507-22-0- PubChem CID
- 54879
- DTXSID
DTXSID60231813- Nikkaji
- J132.101C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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