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3784-99-4 | stilbazium iodide
CAS No: 3784-99-4 Catalog No: AG00CL55 MDL No:
Product Description
Catalog Number:
AG00CL55
Chemical Name:
stilbazium iodide
CAS Number:
3784-99-4
IUPAC Name:
1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C31H36N3.HI/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33;/h7-21H,2-6,22-25H2,1H3;1H/q+1;/p-1
InChI Key:
BYIRBDUHSVOFLU-UHFFFAOYSA-M
EC Number:
223-247-8
UNII:
YCI523M52V
NSC Number:
89239
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
577.195g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
577.554g/mol
Monoisotopic Mass:
577.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
10.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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