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1-ethyl-2-methylquinolin-1-ium iodide

1-ethyl-2-methylquinolin-1-ium iodide

CAS: 606-55-3

Formula: C12H14IN

SMILES: [I-].CC[N+]1=C(C)C=CC2=CC=CC=C12

IUPAC: 1-ethyl-2-methylquinolin-1-ium iodide

InChI: InChI=1S/C12H14N.HI/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1

Composition: C (48.18%), H (4.72%), I (42.42%), N (4.68%)

Molar Mass: 299.155

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 299.01709
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey OEVSHJVOKFWBJY-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 55.97
Topological Polar Surface Area 3.88
Polarizability 22.7
Ring Count 2
Rotatable Bond Count 1

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