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89270-00-8 | Piperidinium, 1-[2-(acetyloxy)propyl]-1,2-dimethyl-, iodide
CAS No: 89270-00-8 Catalog No: AG0087LP MDL No:
Product Description
Catalog Number:
AG0087LP
Chemical Name:
Piperidinium, 1-[2-(acetyloxy)propyl]-1,2-dimethyl-, iodide
CAS Number:
89270-00-8
Molecular Formula:
C12H24INO2
Molecular Weight:
341.2289
IUPAC Name:
1-(1,2-dimethylpiperidin-1-ium-1-yl)propan-2-yl acetate;iodide
InChI:
InChI=1S/C12H24NO2.HI/c1-10-7-5-6-8-13(10,4)9-11(2)15-12(3)14;/h10-11H,5-9H2,1-4H3;1H/q+1;/p-1
InChI Key:
KCXDNWHAIGEALB-UHFFFAOYSA-M
SMILES:
CC(C[N+]1(C)CCCCC1C)OC(=O)C.[I-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.233g/mol
Monoisotopic Mass:
341.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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