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94023-43-5 | 4,5-Dihydro-1-(2-hydroxyethyl)-2-tridecyl-1H-imidazolium acetate
CAS No: 94023-43-5 Catalog No: AG006T0O MDL No:
Product Description
Catalog Number:
AG006T0O
Chemical Name:
4,5-Dihydro-1-(2-hydroxyethyl)-2-tridecyl-1H-imidazolium acetate
CAS Number:
94023-43-5
Molecular Formula:
C20H40N2O3
Molecular Weight:
356.5432
IUPAC Name:
acetic acid;2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethanol
InChI:
InChI=1S/C18H36N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21;1-2(3)4/h21H,2-17H2,1H3;1H3,(H,3,4)
InChI Key:
RHEIWBLLWLGOFB-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C.CCCCCCCCCCCCCC1=NCC[NH+]1CCO
EC Number:
301-642-7
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.304g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.551g/mol
Monoisotopic Mass:
356.304g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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