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10096-64-7 | Morpholinium, 4-ethyl-4-octadecyl-, ethyl sulfate (1:1)
CAS No: 10096-64-7 Catalog No: AG0003BV MDL No:
Product Description
Catalog Number:
AG0003BV
Chemical Name:
Morpholinium, 4-ethyl-4-octadecyl-, ethyl sulfate (1:1)
CAS Number:
10096-64-7
Molecular Formula:
C52H108N2O6S
Molecular Weight:
889.4887
IUPAC Name:
4-ethyl-4-octadecylmorpholin-4-ium;ethyl sulfate
InChI:
InChI=1S/C24H50NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2)21-23-26-24-22-25;1-2-6-7(3,4)5/h3-24H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
BYFUBPWVZUQUSN-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC[N+]1(CC)CCOC(C1)CC.CCCCCCCCCCCCCCCCCC[N+]1(CC)CCOC(C1)CC
EC Number:
233-229-1
UNII:
6Q9O4VV0BY
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.38g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.788g/mol
Monoisotopic Mass:
493.38g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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