Basic information
- CAS
7428-83-3- Standard SMILES
Nc1c2ccccc2c2ccc3cccc4ccc1c2c43- InChIKey
CZURZERLMHKKGV-UHFFFAOYSA-N- Molecular formula
- C20H13N
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10479942
Names & identifiers
- Preferred name
- 6-Aminobenzo(a)pyrene
- IUPAC
- benzo[b]pyren-6-amine
- English name
- 6-aminobenzo(a)pyrene
- Molecular formula
- C20H13N
- Molecular weight
- 267.32
Names & synonyms
6-Aminobenzo(a)pyrene7428-83-3BENZO(a)PYREN-6-AMINE6-AMINOBENZO[A]PYRENEDTXSID60225297RefChem:104201DTXCID60147788benzo[b]pyren-6-amineBenzo[pqr]tetraphen-6-amineBRN 29823326-Benzo[a]pyrenamine3-12-00-03404 (Beilstein Handbook Reference)
Show more names
Benzo[a]pyren-6-amine
SCHEMBL4916286CZURZERLMHKKGV-UHFFFAOYSA-NDB-219724
Database identifiers
- CAS
7428-83-3- PubChem CID
- 23911
- DTXSID
DTXSID60225297- Nikkaji
- J132.100E
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
Physicochemical properties
- Melting point
- 238 · 238-240 °C (decomp)
- Boiling point
- 524.6 · 524.6±19.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.30(Predicted)
Chemistry & industry
Suppliers1 total
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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