Cas no 97799-86-5 (1H-Indole, 1,2,4,6-tetramethyl-)
97799-86-5 structure
Product Name:1H-Indole, 1,2,4,6-tetramethyl-
CAS No:97799-86-5
MF:C12H15N
MW:173.254203081131
CID:750888
PubChem ID:11745110
Update Time:2025-04-19
1H-Indole, 1,2,4,6-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 1,2,4,6-tetramethyl-
- 1,2,4,6-tetramethylindole
- 97799-86-5
- DTXSID40471634
- SCHEMBL21983592
-
- Inchi： 1S/C12H15N/c1-8-5-9(2)11-7-10(3)13(4)12(11)6-8/h5-7H,1-4H3
- InChI Key： MDIFLYIDJFGJKK-UHFFFAOYSA-N
- SMILES： N1(C)C(C)=CC2C(C)=CC(C)=CC1=2
Computed Properties
- Exact Mass: 173.120449483g/mol
- Monoisotopic Mass: 173.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 190
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 4.9?2
1H-Indole, 1,2,4,6-tetramethyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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