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Home > Imidazoles > 109796-03-4
109796-03-4 | 1H-Imidazolium, 1-hexyl-3-[(octyloxy)methyl]-, chloride
CAS No: 109796-03-4 Catalog No: AG007SGN MDL No:
Product Description
Catalog Number:
AG007SGN
Chemical Name:
1H-Imidazolium, 1-hexyl-3-[(octyloxy)methyl]-, chloride
CAS Number:
109796-03-4
Molecular Formula:
C18H37ClN2O
Molecular Weight:
332.9522
IUPAC Name:
1-hexyl-3-(octoxymethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C18H36N2O.ClH/c1-3-5-7-9-10-12-16-21-18-20-15-14-19(17-20)13-11-8-6-4-2;/h14-15H,3-13,16-18H2,1-2H3;1H
InChI Key:
PZFFLYRRYXXCMA-UHFFFAOYSA-N
SMILES:
CCCCCCCCOCN1C=C[NH+](C1)CCCCCC.[Cl-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.259g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.957g/mol
Monoisotopic Mass:
332.259g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
16.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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