Cas no 13228-41-6 (2-Propyl-1H-indole)
2-Propyl-1H-indole structure
Product Name:2-Propyl-1H-indole
CAS No:13228-41-6
MF:C11H13N
MW:159.227622747421
CID:218682
PubChem ID:139415
Update Time:2025-04-19
2-Propyl-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 2-Propyl-1H-indole
- 1H-Indole, 2-propyl-
- 13228-41-6
- SCHEMBL73259
- Propylindol
- DTXSID80157460
- HJENUMMIFDMCEN-UHFFFAOYSA-N
- 2-propylindole
-
- Inchi： 1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h3-4,6-8,12H,2,5H2,1H3
- InChI Key： HJENUMMIFDMCEN-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C=C1CCC
Computed Properties
- Exact Mass: 158.09706
- Monoisotopic Mass: 159.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 144
- 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: 3.3
- Topological Polar Surface Area: 15.8?2
Experimental Properties
- Density: 1.0293 (rough estimate)
- Boiling Point: 274.74°C (rough estimate)
- Flash Point: 125.7°C
- Refractive Index: 1.5490 (estimate)
- PSA: 12.89
2-Propyl-1H-indole Related Literature
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Pan He,Yufeng Du,Gang Liu,Changsheng Cao,Yanhui Shi,Juan Zhang,Guangsheng Pang RSC Adv. 2013 3 18345
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Zisheng Zheng,Lina Tang,Yanfeng Fan,Xiuxiang Qi,Yunfei Du,Daisy Zhang-Negrerie Org. Biomol. Chem. 2011 9 3714
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Zisheng Zheng,Lina Tang,Yanfeng Fan,Xiuxiang Qi,Yunfei Du,Daisy Zhang-Negrerie Org. Biomol. Chem. 2011 9 3714
-
Xinyu Chen,Na Yang,Wen Zeng,Lei Wang,Pinhua Li,Hongji Li Chem. Commun. 2021 57 7047
-
Jianxiao Li,Hao Tang,Zidong Lin,Shaorong Yang,Wanqing Wu,Huanfeng Jiang Org. Biomol. Chem. 2020 18 4071
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