Basic information
- CAS
51913-96-3- Standard SMILES
c1cnc2c(-c3cccc4cccnc34)cccc2c1- InChIKey
NCGTXVHJMVAXBB-UHFFFAOYSA-N- Molecular formula
- C18H12N2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10004839
Names & identifiers
- Preferred name
- Biquinoline
- IUPAC
- 8-quinolin-8-ylquinoline
- English name
- biquinoline
- Molecular formula
- C18H12N2
- Molecular weight
- 256.30128
Names & synonyms
51913-96-3DTXSID80199880RefChem:329492DTXCID40122371Biquinoline8,8'-Biquinoline60021-28-58,8'-biquinolylSCHEMBL1282008SCHEMBL30184687DB-100752diquinolyl
Database identifiers
- CAS
51913-96-3- PubChem CID
- 40176
- DTXSID
DTXSID80199880- Nikkaji
- J399.353A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
Ionization Efficiency
Positive
4.66
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Chemistry & industry
Suppliers1 total
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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