Cas no 63512-61-8 (1-(3-hydroxypropyl)-2-methylquinolinium iodide)
63512-61-8 structure
Product Name:1-(3-hydroxypropyl)-2-methylquinolinium iodide
CAS No:63512-61-8
MF:C13H16INO
MW:329.17671585083
CID:960381
PubChem ID:113318
Update Time:2025-04-19
1-(3-hydroxypropyl)-2-methylquinolinium iodide Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-hydroxypropyl)-2-methylquinolinium iodide
- 3-(2-methylquinolin-1-ium-1-yl)propan-1-ol,iodide
- Quinolinium, 1-(3-hydroxypropyl)-2-methyl-, iodide
- Quinolinium, 1-(3-hydroxypropyl)-2-methyl-, iodide (1:1)
- DB-215540
- DJZYJYIQOORGLQ-UHFFFAOYSA-M
- NS00054489
- 63512-61-8
- DTXSID90886618
- EINECS 264-288-1
-
- Inchi： 1S/C13H16NO.HI/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-15;/h2-3,5-8,15H,4,9-10H2,1H3;1H/q+1;/p-1
- InChI Key： DJZYJYIQOORGLQ-UHFFFAOYSA-M
- SMILES： [I-].OCCC[N+]1C(C)=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 312.902
- Monoisotopic Mass: 329.02766g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 195
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 24.1?2
Experimental Properties
- PSA: 23.78
1-(3-hydroxypropyl)-2-methylquinolinium iodide Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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