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189826-81-1 | 8-Azoniabicyclo[3.2.1]octane, 8-hexyl-3-hydroxy-8-methyl-, iodide (1:1)
CAS No: 189826-81-1 Catalog No: AG002E12 MDL No:
Product Description
Catalog Number:
AG002E12
Chemical Name:
8-Azoniabicyclo[3.2.1]octane, 8-hexyl-3-hydroxy-8-methyl-, iodide (1:1)
CAS Number:
189826-81-1
Molecular Formula:
C14H28INO
Molecular Weight:
353.2827
IUPAC Name:
8-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol;iodide
InChI:
InChI=1S/C14H28NO.HI/c1-3-4-5-6-9-15(2)12-7-8-13(15)11-14(16)10-12;/h12-14,16H,3-11H2,1-2H3;1H/q+1;/p-1
InChI Key:
PBZPZHXNHQTALN-UHFFFAOYSA-M
SMILES:
CCCCCC[N+]1(C)C2CCC1CC(C2)O.[I-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.288g/mol
Monoisotopic Mass:
353.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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