Cas no 17380-17-5 (1H-Indole, 3-butyl-)
1H-Indole, 3-butyl- structure
Product Name:1H-Indole, 3-butyl-
CAS No:17380-17-5
MF:C12H15N
MW:173.254203081131
CID:1363357
PubChem ID:10954003
Update Time:2025-04-20
1H-Indole, 3-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 3-butyl-
- 3-butyl-indole
- AKOS006370984
- CHEMBL4474107
- 17380-17-5
- SCHEMBL266641
- 3-butyl-1H-indole
- 3-butylin-dole
-
- Inchi： 1S/C12H15N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h4-5,7-9,13H,2-3,6H2,1H3
- InChI Key： YSDBYSJVQSHFOE-UHFFFAOYSA-N
- SMILES： N1C=C(C2C=CC=CC1=2)CCCC
Computed Properties
- Exact Mass: 173.12055
- Monoisotopic Mass: 173.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 155
- 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
Experimental Properties
- PSA: 15.79
1H-Indole, 3-butyl- Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
17380-17-5 (1H-Indole, 3-butyl-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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