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10125-85-6 | Piperidinium, 1,1-dimethyl-4-phenyl-, iodide (1:1)
CAS No: 10125-85-6 Catalog No: AG00041Z MDL No:
Product Description
Catalog Number:
AG00041Z
Chemical Name:
Piperidinium, 1,1-dimethyl-4-phenyl-, iodide (1:1)
CAS Number:
10125-85-6
Molecular Formula:
C13H20IN
Molecular Weight:
317.2091
IUPAC Name:
1,1-dimethyl-4-phenylpiperidin-1-ium;iodide
InChI:
InChI=1S/C13H20N.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7,13H,8-11H2,1-2H3;1H/q+1;/p-1
InChI Key:
BTIDXJNODKPJFO-UHFFFAOYSA-M
SMILES:
C[N+]1(C)CCC(CC1)c1ccccc1.[I-]
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.214g/mol
Monoisotopic Mass:
317.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP). | Journal of medicinal chemistry 20011108 |
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