Cas no 809231-21-8 (1H-Indole,3-(2,2-dimethylpropyl)-5-methyl-)
809231-21-8 structure
Product Name:1H-Indole,3-(2,2-dimethylpropyl)-5-methyl-
CAS No:809231-21-8
MF:C14H19N
MW:201.30736374855
CID:715138
PubChem ID:11446991
Update Time:2025-04-19
1H-Indole,3-(2,2-dimethylpropyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole,3-(2,2-dimethylpropyl)-5-methyl-
- 1H-Indole,3-(2,2-dimethylpropyl)-5-methyl-(9CI)
- 3-(2,2-dimethylpropyl)-5-methyl-1H-indole
- SCHEMBL12634153
- 5-Methyl-3-neopentyl-1H-indole
- 809231-21-8
-
- Inchi： 1S/C14H19N/c1-10-5-6-13-12(7-10)11(9-15-13)8-14(2,3)4/h5-7,9,15H,8H2,1-4H3
- InChI Key： QXWDWSLRFIZYFD-UHFFFAOYSA-N
- SMILES： N1C=C(C2C=C(C)C=CC1=2)CC(C)(C)C
Computed Properties
- Exact Mass: 201.151749610g/mol
- Monoisotopic Mass: 201.151749610g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 216
- 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: 4.1
- Topological Polar Surface Area: 15.8?2
1H-Indole,3-(2,2-dimethylpropyl)-5-methyl- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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