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Home > Imidazoles > 128814-22-2
128814-22-2 | 1H-Imidazolium, 1-butyl-3-[(pentyloxy)methyl]-2-phenyl-, chloride (1:1)
CAS No: 128814-22-2 Catalog No: AG000YFF MDL No:
Product Description
Catalog Number:
AG000YFF
Chemical Name:
1H-Imidazolium, 1-butyl-3-[(pentyloxy)methyl]-2-phenyl-, chloride (1:1)
CAS Number:
128814-22-2
Molecular Formula:
C19H31ClN2O
Molecular Weight:
338.9152
IUPAC Name:
1-butyl-3-(pentoxymethyl)-2-phenyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C19H30N2O.ClH/c1-3-5-10-16-22-17-21-15-14-20(13-6-4-2)19(21)18-11-8-7-9-12-18;/h7-9,11-12,14-15,19H,3-6,10,13,16-17H2,1-2H3;1H
InChI Key:
PZUCJANILDVLIM-UHFFFAOYSA-N
SMILES:
CCCCCOCN1C=C[NH+](C1c1ccccc1)CCCC.[Cl-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.212g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.92g/mol
Monoisotopic Mass:
338.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
16.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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