Cas no 4414-79-3 (1H-Indole-1-propanenitrile)
1H-Indole-1-propanenitrile structure
Product Name:1H-Indole-1-propanenitrile
1H-Indole-1-propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-propanenitrile
- 1H-indole-1-propiononitrile
- 3-indol-1-ylpropanenitrile
- 3-(1H-indol-1-yl)propanenitrile
- 3-(1-indolyl)propanonitrile
- 3-(indol-1-yl)propionitrile
- 3-Indol-1-yl-propionitril
- 3-indol-1-yl-propionitrile
- AC1L2UJS
- AC1Q4SBQ
- Indole-1-propionitrile
- NSC17813
- SureCN3471412
- EINECS 224-573-3
- Z56968850
- 1-(cyanoethyl)indole
- HMS1783P01
- AKOS001058174
- 1-INDOLEPROPIONITRILE
- SCHEMBL3471412
- NSC 17813
- UNII-D9IGY1OIC1
- NS00031396
- D9IGY1OIC1
- 4414-79-3
- DTXSID20196055
- NSC-17813
- 1-(2-CYANOETHYL)-1H-INDOLE
-
- Inchi： 1S/C11H10N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,8H2
- InChI Key： AQVTZBHZFUIILH-UHFFFAOYSA-N
- SMILES： N1(C=CC2C=CC=CC1=2)CCC#N
Computed Properties
- Exact Mass: 170.0845
- Monoisotopic Mass: 170.084398
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 2.3
- Topological Polar Surface Area: 28.7
Experimental Properties
- Density: 1.06
- Boiling Point: 362.9°Cat760mmHg
- Flash Point: 173.2°C
- Refractive Index: 1.589
- PSA: 28.72
- LogP: 2.55498
1H-Indole-1-propanenitrile Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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