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138948-66-0 | 1-Octadecanaminium, N-ethyl-N,N-dimethoxy-, nitrate (1:1)
CAS No: 138948-66-0 Catalog No: AG0019WX MDL No:
Product Description
Catalog Number:
AG0019WX
Chemical Name:
1-Octadecanaminium, N-ethyl-N,N-dimethoxy-, nitrate (1:1)
CAS Number:
138948-66-0
Molecular Formula:
C22H48N2O5
Molecular Weight:
420.6269
IUPAC Name:
ethyl-dimethoxy-octadecylazanium;nitrate
InChI:
InChI=1S/C22H48NO2.NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,24-3)25-4;2-1(3)4/h5-22H2,1-4H3;/q+1;-1
InChI Key:
RJALKWUMBBHAQW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCCCCCCCC[N+](OC)(OC)CC
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.356g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.635g/mol
Monoisotopic Mass:
420.356g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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