Basic information
- CAS
313-80-4- Standard SMILES
c1cc2ccc3ccnc4ccc(c1)c2c34- InChIKey
QHADMMAFBAZFTE-UHFFFAOYSA-N- Molecular formula
- C15H9N
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.07349929
Names & identifiers
- Preferred name
- Naphtho(2,1,8-def)quinoline
- IUPAC
- 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
- English name
- NAPHTHO(2,1,8-DEF)QUINOLINE
- Molecular formula
- C15H9N
- Molecular weight
- 203.24
Names & synonyms
Zapyrenenaphtho[2,1,8-def]quinolineNAPHTHO(2,1,8-DEF)QUINOLINE313-80-4GGC731XM13DTXSID80185223RefChem:1092268DTXCID901077141-AzapyreneCCRIS 1257BRN 1309567UNII-GGC731XM13
Show more names
AzapyreneSCHEMBL443832SCHEMBL524092SCHEMBL525177SCHEMBL1247852SCHEMBL29364237SCHEMBL29393751QHADMMAFBAZFTE-UHFFFAOYSA-N
Database identifiers
- CAS
313-80-4- PubChem CID
- 9408
- DTXSID
DTXSID80185223- UNII
- GGC731XM13
- Nikkaji
- J361.088H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- CAS DataBase Reference
- 313 · 313-80-4
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 731 XM13 · GGC731XM13
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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