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824944-74-3 | 1-Dodecanaminium, N,N-diethyl-N-(2-hydroxyethyl)-, ethanesulfonate
CAS No: 824944-74-3 Catalog No: AG00507U MDL No:
Product Description
Catalog Number:
AG00507U
Chemical Name:
1-Dodecanaminium, N,N-diethyl-N-(2-hydroxyethyl)-, ethanesulfonate
CAS Number:
824944-74-3
Molecular Formula:
C20H45NO4S
Molecular Weight:
395.6406
IUPAC Name:
dodecyl-diethyl-(2-hydroxyethyl)azanium;ethanesulfonate
InChI:
InChI=1S/C18H40NO.C2H6O3S/c1-4-7-8-9-10-11-12-13-14-15-16-19(5-2,6-3)17-18-20;1-2-6(3,4)5/h20H,4-18H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
ZQUMIJOIEJUHOE-UHFFFAOYSA-M
SMILES:
CCS(=O)(=O)[O-].CCCCCCCCCCCC[N+](CCO)(CC)CC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.307g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.643g/mol
Monoisotopic Mass:
395.307g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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