Cas no 26019-47-6 (2,3-dimethyl-1H-Indole-1-propanenitrile)
26019-47-6 structure
Product Name:2,3-dimethyl-1H-Indole-1-propanenitrile
CAS No:26019-47-6
MF:C13H14N2
MW:198.263662815094
CID:914182
PubChem ID:4175802
Update Time:2025-04-19
2,3-dimethyl-1H-Indole-1-propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethyl-1H-Indole-1-propanenitrile
- 1H-indole-1-propanenitrile, 2,3-dimethyl-
- 2,3-dimethylindole-1-propanenitrile
- 3-(2,3-dimethylindol-1-yl)propanenitrile
- cid_4175802
- AE-496/11121006
- 3-(2,3-dimethylindol-1-yl)propionitrile
- SMR000224753
- 26019-47-6
- SCHEMBL21431750
- BDBM45573
- HMS2534H03
- MLS000700103
- 3-(2,3-dimethyl-1H-indol-1-yl)propanenitrile
- DTXSID00400304
- CHEMBL1477339
- 3-(2,3-dimethyl-1-indolyl)propanenitrile
- AKOS006273691
-
- Inchi： 1S/C13H14N2/c1-10-11(2)15(9-5-8-14)13-7-4-3-6-12(10)13/h3-4,6-7H,5,9H2,1-2H3
- InChI Key： IUOGDYFHVOLNEQ-UHFFFAOYSA-N
- SMILES： N1(CCC#N)C(C)=C(C)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 198.11582
- Monoisotopic Mass: 198.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 2.4
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.72
2,3-dimethyl-1H-Indole-1-propanenitrile Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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