Cas no 69881-63-6 ((3xi,8alpha,9S)-9-hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide)
69881-63-6 structure
Product Name:(3xi,8alpha,9S)-9-hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide
CAS No:69881-63-6
MF:C21H27IN2O2
MW:466.355757951736
CID:1739868
PubChem ID:50917
Update Time:2025-04-21
(3xi,8alpha,9S)-9-hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide Chemical and Physical Properties
Names and Identifiers
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- (3xi,8alpha,9S)-9-hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide
- Cinchonan-1-ium, 9-hydroxy-6'-methoxy-1-methyl-, iodide, (6-alpha,9R)-
- Quinuclidinium, 6-(hydroxy(6-methoxy-4-quinolinyl)methyl)-1-methyl-3-vinyl-, iodide
- 6-(1-Hydroxy-1-(6-methoxy-4-quinolinyl)methyl)-1-methyl-3-vinylquinuclidinium, iodide
- (8-alpha,9R)-9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide
- 69881-63-6
- Quinine methiodide
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- Inchi： 1S/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14?,15?,20-,21+,23?;/m1./s1
- InChI Key： AJQSDVGBERUTGX-KCWPWBDNSA-M
- SMILES： [I-].O[C@@H](C1C=CN=C2C=CC(=CC=12)OC)[C@H]1CC2CC[N+]1(C)CC2C=C
Computed Properties
- Exact Mass: 466.111721
- Monoisotopic Mass: 466.111721
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 498
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.4
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
(3xi,8alpha,9S)-9-hydroxy-6'-methoxy-1-methylcinchonan-1-ium iodide Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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