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14565-92-5

14565-92-5 | 2-Hexadecanaminium, 1-ethoxy-N,N,N-trimethyl-1-oxo-

CAS No: 14565-92-5 Catalog No: AG001DA2 MDL No:

Product Description

Catalog Number:
AG001DA2
Chemical Name:
2-Hexadecanaminium, 1-ethoxy-N,N,N-trimethyl-1-oxo-
CAS Number:
14565-92-5
Molecular Formula:
C21H44NO2+
Molecular Weight:
342.5796
IUPAC Name:
(1-ethoxy-1-oxohexadecan-2-yl)-trimethylazanium
InChI:
InChI=1S/C21H44NO2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20(22(3,4)5)21(23)24-7-2/h20H,6-19H2,1-5H3/q+1
InChI Key:
ZLNOZGKIDHOPCS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC([N+](C)(C)C)C(=O)OCC

Properties

Complexity:
297  
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:
17  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8  

Literature

Title Journal
Septonex-tetraphenylborate screen-printed ion selective electrode for the potentiometric determination of Septonex in pharmaceutical preparations. The Analyst 20110407

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