Cas no 76017-90-8 (5-methyl-1H-Indole-2-acetonitrile)
76017-90-8 structure
Product Name:5-methyl-1H-Indole-2-acetonitrile
CAS No:76017-90-8
MF:C11H10N2
MW:170.210502147675
CID:982341
PubChem ID:302923
Update Time:2025-04-20
5-methyl-1H-Indole-2-acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-1H-Indole-2-acetonitrile
- 2-(5-methyl-1H-indol-2-yl)acetonitrile
- (5-methyl-1H-indol-2-yl)acetonitrile
- AC1L71LM
- CTK2H9329
- NSC190674
- NSC-190674
- DTXSID00307304
- 76017-90-8
-
- Inchi： 1S/C11H10N2/c1-8-2-3-11-9(6-8)7-10(13-11)4-5-12/h2-3,6-7,13H,4H2,1H3
- InChI Key： PINLIEOJKBJVIF-UHFFFAOYSA-N
- SMILES： N1C(CC#N)=CC2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 170.0845
- 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 : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 39.6?2
Experimental Properties
- PSA: 39.58
- LogP: 2.54238
5-methyl-1H-Indole-2-acetonitrile Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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