Cas no 42951-62-2 (1-Hexyl-1H-indole)
1-Hexyl-1H-indole structure
Product Name:1-Hexyl-1H-indole
CAS No:42951-62-2
MF:C14H19N
MW:201.30736374855
CID:2638602
PubChem ID:12715404
Update Time:2025-04-21
1-Hexyl-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 1-hexylindole
- 1-Hexyl-1H-indole
- AKOS013122628
- SCHEMBL30376
- 1H-Indole, 1-hexyl-
- 42951-62-2
- DTXSID50507796
- 1-n-hexylindole
- DTXCID00458603
-
- Inchi： 1S/C14H19N/c1-2-3-4-7-11-15-12-10-13-8-5-6-9-14(13)15/h5-6,8-10,12H,2-4,7,11H2,1H3
- InChI Key： NOKPEQGJKFRMEL-UHFFFAOYSA-N
- SMILES： N1(C=CC2C=CC=CC1=2)CCCCCC
Computed Properties
- Exact Mass: 201.151749610Da
- Monoisotopic Mass: 201.151749610Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 178
- 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: 5
- Topological Polar Surface Area: 4.9?2
1-Hexyl-1H-indole Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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