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31634-11-4 | Morpholinium,4-methyl-4-[4-oxo-4-(3-thienyl)butyl]-, iodide (1:1)
CAS No: 31634-11-4 Catalog No: AG007ITR MDL No:
Product Description
Catalog Number:
AG007ITR
Chemical Name:
Morpholinium,4-methyl-4-[4-oxo-4-(3-thienyl)butyl]-, iodide (1:1)
CAS Number:
31634-11-4
Molecular Formula:
C13H20INO2S
Molecular Weight:
381.2729
IUPAC Name:
4-(4-methylmorpholin-4-ium-4-yl)-1-thiophen-3-ylbutan-1-one;iodide
InChI:
InChI=1S/C13H20NO2S.HI/c1-14(6-8-16-9-7-14)5-2-3-13(15)12-4-10-17-11-12;/h4,10-11H,2-3,5-9H2,1H3;1H/q+1;/p-1
InChI Key:
HHNRXYHKHHWEBN-UHFFFAOYSA-M
SMILES:
O=C(c1cscc1)CCC[N+]1(C)CCOCC1.[I-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.272g/mol
Monoisotopic Mass:
381.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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