Cas no 6299-97-4 (2-butyl-2-methyl-2,3-dihydro-1H-isoindolium)
6299-97-4 structure
Product Name:2-butyl-2-methyl-2,3-dihydro-1H-isoindolium
CAS No:6299-97-4
MF:C13H20IN
MW:317.209075927734
CID:1644028
PubChem ID:24185946
Update Time:2025-04-21
2-butyl-2-methyl-2,3-dihydro-1H-isoindolium Chemical and Physical Properties
Names and Identifiers
-
- 2-butyl-2-methyl-2,3-dihydro-1H-isoindolium
- 2-butyl-2-methyl-1,3-dihydroisoindol-2-ium,iodide
- NSC45121
- 2-Butyl-2-methyl-2,3-dihydro-1H-isoindol-2-ium iodide
- DTXSID20637175
- 6299-97-4
- NSC-45121
-
- Inchi： 1S/C13H20N.HI/c1-3-4-9-14(2)10-12-7-5-6-8-13(12)11-14;/h5-8H,3-4,9-11H2,1-2H3;1H/q+1;/p-1
- InChI Key： QOKAIAGVYWJMPL-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(CCCC)CC2C=CC=CC=2C1
Computed Properties
- Exact Mass: 190.1597
- Monoisotopic Mass: 317.06405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 174
- 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?2
Experimental Properties
- PSA: 0
2-butyl-2-methyl-2,3-dihydro-1H-isoindolium Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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