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89610-64-0 | Morpholinium, 4-[(diethylamino)(methyloctylamino)methylene]-, iodide
CAS No: 89610-64-0 Catalog No: AG003WTJ MDL No:
Product Description
Catalog Number:
AG003WTJ
Chemical Name:
Morpholinium, 4-[(diethylamino)(methyloctylamino)methylene]-, iodide
CAS Number:
89610-64-0
Molecular Formula:
C18H38IN3O
Molecular Weight:
439.4183
IUPAC Name:
N',N'-diethyl-N-methyl-1-morpholin-4-ium-4-ylidene-N-octylmethanediamine;iodide
InChI:
InChI=1S/C18H38N3O.HI/c1-5-8-9-10-11-12-13-19(4)18(20(6-2)7-3)21-14-16-22-17-15-21;/h5-17H2,1-4H3;1H/q+1;/p-1
InChI Key:
IRCLMRYKEDAZPA-UHFFFAOYSA-M
SMILES:
CCCCCCCCN(C(=[N+]1CCOCC1)N(CC)CC)C.[I-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.426g/mol
Monoisotopic Mass:
439.206g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
18.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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