Basic information
- CAS
218-02-0- Standard SMILES
c1ccc2c(c1)ccc1c3ccncc3ccc21- InChIKey
ACIUFBMENRNYHI-UHFFFAOYSA-N- Molecular formula
- C17H11N
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.08914936
Names & identifiers
- Preferred name
- 2-Azachrysene
- IUPAC
- naphtho[2,1-f]isoquinoline
Names & synonyms
2-AzachryseneNaphth(2,1-f)isoquinoline3K6PRD9P0KCCRIS 1605UNII-3K6PRD9P0KNSC 117035NSC-117035Naphth[2,1-f]isoquinolineBRN 0154998DTXSID601762104-20-00-04295 (Beilstein Handbook Reference)RefChem:85513
Show more names
DTXCID1098701ACIUFBMENRNYHI-UHFFFAOYSA-N218-02-0naphtho[2,1-f]isoquinolineNSC117035SCHEMBL2930993SCHEMBL29539263
Database identifiers
- CAS
218-02-0- PubChem CID
- 9172
- DTXSID
DTXSID60176210- UNII
- 3K6PRD9P0K
- Nikkaji
- J1.743.371G
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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