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36913-39-0 | MPP+ IODIDE
CAS No: 36913-39-0 Catalog No: AG00C9XU MDL No:MFCD00055096
Product Description
Catalog Number:
AG00C9XU
Chemical Name:
MPP+ IODIDE
CAS Number:
36913-39-0
Molecular Formula:
C12H12IN
Molecular Weight:
297.1349
MDL Number:
MFCD00055096
IUPAC Name:
1-methyl-4-phenylpyridin-1-ium;iodide
InChI:
InChI=1S/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
InChI Key:
RFDFRDXIIKROAI-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)c1ccccc1.[I-]
UNII:
N708D004VE
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.139g/mol
Monoisotopic Mass:
297.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Vesicular monoamine transporter substrate/inhibitor activity of MPTP/MPP+ derivatives: a structure-activity study. | Journal of medicinal chemistry 20080227 |
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