Cas no 20862-85-5 (a-methyl-1H-Indole-3-acetonitrile)
20862-85-5 structure
Product Name:a-methyl-1H-Indole-3-acetonitrile
CAS No:20862-85-5
MF:C11H10N2
MW:170.210502147675
CID:1396359
PubChem ID:12200794
Update Time:2025-04-20
a-methyl-1H-Indole-3-acetonitrile Chemical and Physical Properties
Names and Identifiers
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- a-methyl-1H-Indole-3-acetonitrile
- OYWVOGLZNMHOLB-UHFFFAOYSA-N
- F96623
- SCHEMBL274269
- 2-(1H-indol-3-yl)propionitrile
- 20862-85-5
- 2-(1H-indol-3-yl)propanenitrile
-
- Inchi： 1S/C11H10N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,1H3
- InChI Key： OYWVOGLZNMHOLB-UHFFFAOYSA-N
- SMILES： N1C=C(C(C#N)C)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 170.084398327g/mol
- Monoisotopic Mass: 170.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 228
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 39.6?2
a-methyl-1H-Indole-3-acetonitrile Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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