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111317-76-1 | 2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide
CAS No: 111317-76-1 Catalog No: AG007AYH MDL No:
Product Description
Catalog Number:
AG007AYH
Chemical Name:
2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide
CAS Number:
111317-76-1
Molecular Formula:
C11H22INO
Molecular Weight:
311.2030
IUPAC Name:
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol;iodide
InChI:
InChI=1S/C11H22NO.HI/c1-12-7-3-2-6-11(12)10(9-13)5-4-8-12;/h10-11,13H,2-9H2,1H3;1H/q+1;/p-1
InChI Key:
TZECQZQABZTCMW-UHFFFAOYSA-M
SMILES:
OCC1CCC[N+]2(C1CCCC2)C.[I-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.207g/mol
Monoisotopic Mass:
311.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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