1-Ethylquinolinium

HCID 69447

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Basic information

CAS: 48122-97-0
Standard SMILES: CC[n+]1cccc2ccccc21
InChIKey: CBMDQVNFHVUOIB-UHFFFAOYSA-N
Molecular formula: C11H12N+
Average molar mass: 158.22 g/mol
Monoisotopic mass: 158.09697439

Names & identifiers

Preferred name: 1-Ethylquinolinium
IUPAC: 1-ethylquinolin-1-ium

Names & synonyms

1-ethylquinolinium1-ethylquinolin-1-ium48122-97-0Quinolinium, 1-ethyl-1-ethylquinolonium53XM5MBM5KSCHEMBL309459CHEMBL2074896DTXSID50275706AKOS022143924ST45026365

Database identifiers

CAS: 48122-97-0
PubChem CID: 69447
DTXSID: DTXSID50275706
ChEMBL: CHEMBL2074896
UNII: 53XM5MBM5K
Nikkaji: J231.679J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 3.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 1
Complexity: 144

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