Cas no 42958-26-9 (1H-Indole,7-methyl-2-(1-methylethyl)-)
42958-26-9 structure
Product Name:1H-Indole,7-methyl-2-(1-methylethyl)-
CAS No:42958-26-9
MF:C12H15N
MW:173.254203081131
CID:325310
PubChem ID:45096585
Update Time:2025-04-19
1H-Indole,7-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole,7-methyl-2-(1-methylethyl)-
- 7-methyl-2-(propan-2-yl)-1H-indole
- 2-Isopropyl-7-methyl-1H-indole
- SCHEMBL16380981
- 7-methyl-2-propan-2-yl-1H-indole
- 42958-26-9
-
- Inchi： 1S/C12H15N/c1-8(2)11-7-10-6-4-5-9(3)12(10)13-11/h4-8,13H,1-3H3
- InChI Key： OFGSAWSYDDPEFO-UHFFFAOYSA-N
- SMILES： N1C2C(C)=CC=CC=2C=C1C(C)C
Computed Properties
- Exact Mass: 173.12055
- Monoisotopic Mass: 173.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.8A^2
- XLogP3: 3.6
Experimental Properties
- PSA: 15.79
1H-Indole,7-methyl-2-(1-methylethyl)- Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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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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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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