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113679-40-6 | 1-Octadecanaminium, N,N-diethoxy-N-ethyl-, chloride (1:1)
CAS No: 113679-40-6 Catalog No: AG0009AA MDL No:
Product Description
Catalog Number:
AG0009AA
Chemical Name:
1-Octadecanaminium, N,N-diethoxy-N-ethyl-, chloride (1:1)
CAS Number:
113679-40-6
Molecular Formula:
C24H52ClNO2
Molecular Weight:
422.1282
IUPAC Name:
diethoxy-ethyl-octadecylazanium;chloride
InChI:
InChI=1S/C24H52NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(6-2,26-7-3)27-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChI Key:
GYSCOVPOYPRSOA-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[N+](OCC)(OCC)CC.[Cl-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.369g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.135g/mol
Monoisotopic Mass:
421.369g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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