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3-hexadecyl-1-methylimidazol-1-ium hydrate chloride

3-hexadecyl-1-methylimidazol-1-ium hydrate chloride

CAS: 404001-62-3

Formula: C20H41ClN2O

SMILES: [Cl-].[H]O[H].CCCCCCCCCCCCCCCCN1C=C[N+](C)=C1

IUPAC: 1-hexadecyl-3-methyl-1H-imidazol-3-ium hydrate chloride

InChI: InChI=1S/C20H39N2.ClH.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;;/h18-20H,3-17H2,1-2H3;1H;1H2/q+1;;/p-1

Composition: C (66.54%), H (11.45%), Cl (9.82%), N (7.76%), O (4.43%)

Molar Mass: 361.01

Atom Count: 65

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 360.2907416
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YCRGEJFZTMXLMF-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 97.94
Topological Polar Surface Area 8.81
Polarizability 38.59
Ring Count 1
Rotatable Bond Count 15

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