Basic information
- CAS
25003-82-1- Standard SMILES
c1ccc2c(c1)ccc1cc3cnccc3cc12- InChIKey
BIHVYFFSKHTVIG-UHFFFAOYSA-N- Molecular formula
- C17H11N
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.08914936
Names & identifiers
- Preferred name
- 9-Azabenz(a)anthracene
- IUPAC
- naphtho[1,2-g]isoquinoline
Names & synonyms
9-Azabenz(a)anthraceneNAPHTH(1,2-g)ISOQUINOLINECCRIS 1600AFX8IM3ER6NSC 117034BRN 4998796UNII-AFX8IM3ER6NSC-117034Naphth[1,2-g]isoquinolineDTXSID501797109-AZABENZ[A]ANTHRACENERefChem:199274
Show more names
DTXCID1010220125003-82-1naphtho[1,2-g]isoquinolineNSC117034SCHEMBL27530860
Database identifiers
- CAS
25003-82-1- PubChem CID
- 32764
- DTXSID
DTXSID50179710- UNII
- AFX8IM3ER6
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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