Cas no 724745-67-9 (2-(4-Ethylanilino)nicotinonitrile)
724745-67-9 structure
Product Name:2-(4-Ethylanilino)nicotinonitrile
CAS No:724745-67-9
MF:C14H13N3
MW:223.273122549057
CID:558672
Update Time:2023-08-02
2-(4-Ethylanilino)nicotinonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile,2-[(4-ethylphenyl)amino]-
- 3-Pyridinecarbonitrile,2-[(4-ethylphenyl)amino]-(9CI)
- SMR000161775
- MLS000538731
- 2-(4-ethylanilino)nicotinonitrile
- HMS2190I14
- 2-((4-ethylphenyl)amino)nicotinonitrile
- 2-(4-Ethylanilino)nicotinonitrile
-
- Inchi: 1S/C14H13N3/c1-2-11-5-7-13(8-6-11)17-14-12(10-15)4-3-9-16-14/h3-9H,2H2,1H3,(H,16,17)
- InChI Key: FOWSHXAFGXXYDA-UHFFFAOYSA-N
- SMILES: N(C1C(C#N)=CC=CN=1)C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 223.111
- Monoisotopic Mass: 223.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 272
- 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: 3.8
- Topological Polar Surface Area: 48.7
2-(4-Ethylanilino)nicotinonitrile Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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