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85896-17-9 | ETHYLTRIS(2-HYDROXYPROPYL)AMMONIUM ETHYL SULFATE
CAS No: 85896-17-9 Catalog No: AG004WUS MDL No:
Product Description
Catalog Number:
AG004WUS
Chemical Name:
ETHYLTRIS(2-HYDROXYPROPYL)AMMONIUM ETHYL SULFATE
CAS Number:
85896-17-9
Molecular Formula:
C13H31NO7S
Molecular Weight:
345.4527
IUPAC Name:
ethyl sulfate;ethyl-tris(2-hydroxypropyl)azanium
InChI:
InChI=1S/C11H26NO3.C2H6O4S/c1-5-12(6-9(2)13,7-10(3)14)8-11(4)15;1-2-6-7(3,4)5/h9-11,13-15H,5-8H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
GWKCOEMKRSBYAA-UHFFFAOYSA-M
SMILES:
CC[N+](CC(O)C)(CC(O)C)CC(O)C.CCOS(=O)(=O)[O-]
EC Number:
288-794-7
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.182g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.451g/mol
Monoisotopic Mass:
345.182g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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