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119980-18-6 | Ethanaminium, N-[2-(hexadecyloxy)ethyl]-2-hydroxy-N,N-dimethyl-, iodide (1:1)
CAS No: 119980-18-6 Catalog No: AG000PZ3 MDL No:
Product Description
Catalog Number:
AG000PZ3
Chemical Name:
Ethanaminium, N-[2-(hexadecyloxy)ethyl]-2-hydroxy-N,N-dimethyl-, iodide (1:1)
CAS Number:
119980-18-6
Molecular Formula:
C22H48INO2
Molecular Weight:
485.5265
IUPAC Name:
2-hexadecoxyethyl-(2-hydroxyethyl)-dimethylazanium;iodide
InChI:
InChI=1S/C22H48NO2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22-19-23(2,3)18-20-24;/h24H,4-22H2,1-3H3;1H/q+1;/p-1
InChI Key:
FQRRSTOSUZUHEF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCOCC[N+](CCO)(C)C.[I-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.273g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
485.535g/mol
Monoisotopic Mass:
485.273g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| In vitro evaluation of phosphocholine and quaternary ammonium containing lipids as novel anti-HIV agents. | Journal of medicinal chemistry 19910401 |
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