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23966-70-3 | Morpholinium,4-[2-[(2-butoxy-3-methoxybenzoyl)oxy]ethyl]-4-methyl-, iodide (1:1)
CAS No: 23966-70-3 Catalog No: AG007OD9 MDL No:
Product Description
Catalog Number:
AG007OD9
Chemical Name:
Morpholinium,4-[2-[(2-butoxy-3-methoxybenzoyl)oxy]ethyl]-4-methyl-, iodide (1:1)
CAS Number:
23966-70-3
Molecular Formula:
C19H30INO5
Molecular Weight:
479.3497
IUPAC Name:
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-butoxy-3-methoxybenzoate;iodide
InChI:
InChI=1S/C19H30NO5.HI/c1-4-5-12-24-18-16(7-6-8-17(18)22-3)19(21)25-15-11-20(2)9-13-23-14-10-20;/h6-8H,4-5,9-15H2,1-3H3;1H/q+1;/p-1
InChI Key:
BMJASDQYVIFFSK-UHFFFAOYSA-M
SMILES:
CCCCOc1c(OC)cccc1C(=O)OCC[N+]1(C)CCOCC1.[I-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.355g/mol
Monoisotopic Mass:
479.117g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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