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59158-14-4 | N-Methyl-N,N-dioctyloctan-1-aminium hydrogensulfate
CAS No: 59158-14-4 Catalog No: AG00359N MDL No:MFCD03095545
Product Description
Catalog Number:
AG00359N
Chemical Name:
N-Methyl-N,N-dioctyloctan-1-aminium hydrogensulfate
CAS Number:
59158-14-4
Molecular Formula:
C25H55NO4S
Molecular Weight:
465.7735
MDL Number:
MFCD03095545
IUPAC Name:
hydrogen sulfate;methyl(trioctyl)azanium
InChI:
InChI=1S/C25H54N.H2O4S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-5(2,3)4/h5-25H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
MWSPFHZPVVWJCO-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C
UNII:
WK5C0BIA55
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.385g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.778g/mol
Monoisotopic Mass:
465.385g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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