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24902-45-2 | Ethanaminium, N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, iodide (1:1)
CAS No: 24902-45-2 Catalog No: AG002PU2 MDL No:
Product Description
Catalog Number:
AG002PU2
Chemical Name:
Ethanaminium, N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, iodide (1:1)
CAS Number:
24902-45-2
Molecular Formula:
C23H48INO2
Molecular Weight:
497.5372
IUPAC Name:
trimethyl(2-octadecanoyloxyethyl)azanium;iodide
InChI:
InChI=1S/C23H48NO2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4;/h5-22H2,1-4H3;1H/q+1;/p-1
InChI Key:
ZCPNUVKSRUXQOL-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[I-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.273g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.546g/mol
Monoisotopic Mass:
497.273g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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