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111530-29-1 | 4,4'-(1,4-Piperazinediyldiethylene)bis[4-ethylmorpholiniumiodide] (6CI)
CAS No: 111530-29-1 Catalog No: AG007SP8 MDL No:
Product Description
Catalog Number:
AG007SP8
Chemical Name:
4,4'-(1,4-Piperazinediyldiethylene)bis[4-ethylmorpholiniumiodide] (6CI)
CAS Number:
111530-29-1
Molecular Formula:
C20H42I2N4O2
Molecular Weight:
624.3820
IUPAC Name:
4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium;diiodide
InChI:
InChI=1S/C20H42N4O2.2HI/c1-3-23(13-17-25-18-14-23)11-9-21-5-7-22(8-6-21)10-12-24(4-2)15-19-26-20-16-24;;/h3-20H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
CWXIOJYYRQZVNO-UHFFFAOYSA-L
SMILES:
CC[N+]1(CCN2CCN(CC2)CC[N+]2(CC)CCOCC2)CCOCC1.[I-].[I-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.14g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
624.391g/mol
Monoisotopic Mass:
624.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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