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125-99-5 | tridihexethyl iodide
CAS No: 125-99-5 Catalog No: AG00AIKU MDL No:
Product Description
Catalog Number:
AG00AIKU
Chemical Name:
tridihexethyl iodide
CAS Number:
125-99-5
IUPAC Name:
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium;iodide
InChI:
InChI=1S/C21H36NO.HI/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1
InChI Key:
VFEDLMLHAGASHB-UHFFFAOYSA-M
EC Number:
204-762-7
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.429g/mol
Monoisotopic Mass:
445.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Transient visual anomalies associated with drug treatment for spastic colon. | Journal of the American Optometric Association 19860801 |
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