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119980-19-7 | 1-Propanaminium, N-[2-(hexadecyloxy)ethyl]-3-hydroxy-N,N-dimethyl-, iodide (1:1)
CAS No: 119980-19-7 Catalog No: AG000PZ2 MDL No:
Product Description
Catalog Number:
AG000PZ2
Chemical Name:
1-Propanaminium, N-[2-(hexadecyloxy)ethyl]-3-hydroxy-N,N-dimethyl-, iodide (1:1)
CAS Number:
119980-19-7
Molecular Formula:
C23H50INO2
Molecular Weight:
499.5531
IUPAC Name:
2-hexadecoxyethyl-(3-hydroxypropyl)-dimethylazanium;iodide
InChI:
InChI=1S/C23H50NO2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-23-20-24(2,3)19-18-21-25;/h25H,4-23H2,1-3H3;1H/q+1;/p-1
InChI Key:
ZBAWIHZRZUWRMQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCOCC[N+](CCCO)(C)C.[I-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.289g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
499.562g/mol
Monoisotopic Mass:
499.289g/mol
Rotatable Bond Count:
21
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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