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13100-90-8 | Ethanaminium, N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-
CAS No: 13100-90-8 Catalog No: AG000VBZ MDL No:
Product Description
Catalog Number:
AG000VBZ
Chemical Name:
Ethanaminium, N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-
CAS Number:
13100-90-8
Molecular Formula:
C21H44NO2+
Molecular Weight:
342.5796
IUPAC Name:
2-hexadecanoyloxyethyl(trimethyl)azanium
InChI:
InChI=1S/C21H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4/h5-20H2,1-4H3/q+1
InChI Key:
ODYPFMHOOQOHEF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.337g/mol
Formal Charge:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.588g/mol
Monoisotopic Mass:
342.337g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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