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89269-97-6

89269-97-6 | Piperidinium, 1-[2-(acetyloxy)propyl]-1-methyl-, iodide

CAS No: 89269-97-6 Catalog No: AG0087LR MDL No:

Product Description

Catalog Number:
AG0087LR
Chemical Name:
Piperidinium, 1-[2-(acetyloxy)propyl]-1-methyl-, iodide
CAS Number:
89269-97-6
Molecular Formula:
C11H22INO2
Molecular Weight:
327.2024
IUPAC Name:
1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl acetate;iodide
InChI:
InChI=1S/C11H22NO2.HI/c1-10(14-11(2)13)9-12(3)7-5-4-6-8-12;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
RNSVNDALQORFOV-UHFFFAOYSA-M
SMILES:
CC(C[N+]1(C)CCCCC1)OC(=O)C.[I-]

Properties

Complexity:
198  
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:
1  
Undefined Bond Stereocenter Count:
0

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