Cas no 3199-32-4 (1H-Isoindolium,2,3-dihydro-2-methyl-2-[3-(trimethylammonio)propyl]-, iodide (1:2))
![1H-Isoindolium,2,3-dihydro-2-methyl-2-[3-(trimethylammonio)propyl]-, iodide (1:2) structure](https://ossimg.kuujia.com/scimg/3500/3199-32-4x500.png)
3199-32-4 structure
Product Name:1H-Isoindolium,2,3-dihydro-2-methyl-2-[3-(trimethylammonio)propyl]-, iodide (1:2)
CAS No:3199-32-4
MF:C15H26IN2
MW:361.284816265106
CID:313912
PubChem ID:24185953
Update Time:2025-04-19
1H-Isoindolium,2,3-dihydro-2-methyl-2-[3-(trimethylammonio)propyl]-, iodide (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindolium,2,3-dihydro-2-methyl-2-[3-(trimethylammonio)propyl]-, iodide (1:2)
- trimethyl-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]azanium,iodide
- DTXSID40637177
- 3199-32-4
- NSC45132
- NSC-45132
- trimethyl-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]azanium;iodide
-
- Inchi： 1S/C15H26N2.HI/c1-16(2,3)10-7-11-17(4)12-14-8-5-6-9-15(14)13-17;/h5-6,8-9H,7,10-13H2,1-4H3;1H/q+2;/p-1
- InChI Key： LTYVHSZTUQSZPL-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(CC2C=CC=CC=2C1)CCC[N+](C)(C)C
Computed Properties
- Exact Mass: 234.20978
- Monoisotopic Mass: 361.114067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 240
- 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: 0
Experimental Properties
- PSA: 0
1H-Isoindolium,2,3-dihydro-2-methyl-2-[3-(trimethylammonio)propyl]-, iodide (1:2) Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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