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157501-63-8 | Morpholinium, 4,4'-(2-hydroxy-1,3-propanediyl)bis[4-methyl-, diiodide (9CI)
CAS No: 157501-63-8 Catalog No: AG001PHR MDL No:
Product Description
Catalog Number:
AG001PHR
Chemical Name:
Morpholinium, 4,4'-(2-hydroxy-1,3-propanediyl)bis[4-methyl-, diiodide (9CI)
CAS Number:
157501-63-8
Molecular Formula:
C13H28I2N2O3
Molecular Weight:
514.1820
IUPAC Name:
1,3-bis(4-methylmorpholin-4-ium-4-yl)propan-2-ol;diiodide
InChI:
InChI=1S/C13H28N2O3.2HI/c1-14(3-7-17-8-4-14)11-13(16)12-15(2)5-9-18-10-6-15;;/h13,16H,3-12H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
SJETVTLBOUUTJB-UHFFFAOYSA-L
SMILES:
OC(C[N+]1(C)CCOCC1)C[N+]1(C)CCOCC1.[I-].[I-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
514.187g/mol
Monoisotopic Mass:
514.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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