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89270-02-0 | Piperidinium, 1-[2-(acetyloxy)ethyl]-1,4-dimethyl-, iodide
CAS No: 89270-02-0 Catalog No: AG004196 MDL No:
Product Description
Catalog Number:
AG004196
Chemical Name:
Piperidinium, 1-[2-(acetyloxy)ethyl]-1,4-dimethyl-, iodide
CAS Number:
89270-02-0
Molecular Formula:
C11H22INO2
Molecular Weight:
327.2024
IUPAC Name:
2-(1,4-dimethylpiperidin-1-ium-1-yl)ethyl acetate;iodide
InChI:
InChI=1S/C11H22NO2.HI/c1-10-4-6-12(3,7-5-10)8-9-14-11(2)13;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
KFHKMXDTINPTKC-UHFFFAOYSA-M
SMILES:
CC1CC[N+](CC1)(C)CCOC(=O)C.[I-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.206g/mol
Monoisotopic Mass:
327.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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