Cas no 62090-40-8 (3-Pyridinecarbonitrile, 2-amino-6-(4-methylphenyl)-)
62090-40-8 structure
Product Name:3-Pyridinecarbonitrile, 2-amino-6-(4-methylphenyl)-
CAS No:62090-40-8
MF:C13H11N3
MW:209.246542215347
CID:458539
PubChem ID:12338497
Update Time:2025-04-19
3-Pyridinecarbonitrile, 2-amino-6-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 2-amino-6-(4-methylphenyl)-
- 2-amino-6-(4-methylphenyl)pyridine-3-carbonitrile
- AKOS011477687
- 62090-40-8
- DTXSID30491669
-
- Inchi： 1S/C13H11N3/c1-9-2-4-10(5-3-9)12-7-6-11(8-14)13(15)16-12/h2-7H,1H3,(H2,15,16)
- InChI Key： CKCLQEUAXNQHCH-UHFFFAOYSA-N
- SMILES： N1C(=C(C#N)C=CC=1C1C=CC(C)=CC=1)N
Computed Properties
- Exact Mass: 209.09543
- Monoisotopic Mass: 209.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- 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: 2.8
- Topological Polar Surface Area: 62.7?2
Experimental Properties
- PSA: 62.7
3-Pyridinecarbonitrile, 2-amino-6-(4-methylphenyl)- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
62090-40-8 (3-Pyridinecarbonitrile, 2-amino-6-(4-methylphenyl)-) Related Products
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