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84753-05-9 | dodecyl-(2-hydroxyethyl)-dimethyl-azanium; methanesulfonate
CAS No: 84753-05-9 Catalog No: AG008GMF MDL No:
Product Description
Catalog Number:
AG008GMF
Chemical Name:
dodecyl-(2-hydroxyethyl)-dimethyl-azanium; methanesulfonate
CAS Number:
84753-05-9
Molecular Formula:
C17H39NO4S
Molecular Weight:
353.5609
IUPAC Name:
dodecyl-(2-hydroxyethyl)-dimethylazanium;methanesulfonate
InChI:
InChI=1S/C16H36NO.CH4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18;1-5(2,3)4/h18H,4-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
SDFOQNAIXDXKKN-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.CCCCCCCCCCCC[N+](CCO)(C)C
EC Number:
283-851-2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.26g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.562g/mol
Monoisotopic Mass:
353.26g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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