Cas no 111317-76-1 (2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide)
111317-76-1 structure
Product Name:2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide
CAS No:111317-76-1
MF:C11H22INO
MW:311.202955722809
CID:1198037
PubChem ID:45042165
Update Time:2025-04-20
2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide Chemical and Physical Properties
Names and Identifiers
-
- 2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide
- (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol,iodide
- 111317-76-1
- 1-(Hydroxymethyl)-5-methyloctahydro-2H-quinolizin-5-ium iodide
- DTXSID30662236
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- 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： [I-].OCC1CCC[N+]2(C)CCCCC21
Computed Properties
- Exact Mass: 288.902
- Monoisotopic Mass: 311.07461g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 183
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 19.9
2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
111317-76-1 (2H-Quinolizinium, octahydro-1-(hydroxymethyl)-5-methyl-, iodide) Related Products
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