Cas no 1356068-36-4 (2-(Benzylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)nicotinonitrile)
1356068-36-4 structure
Product Name:2-(Benzylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)nicotinonitrile
CAS No:1356068-36-4
MF:C19H22BN3O2
MW:335.207884311676
CID:2771489
Update Time:2023-08-07
2-(Benzylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)nicotinonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(BENZYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
- MB21532
- 2-(benzylamino)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine-3-carbonitrile
- 2-(Benzylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)nicotinonitrile
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- Inchi： 1S/C19H22BN3O2/c1-18(2)19(3,4)25-20(24-18)16-10-15(11-21)17(23-13-16)22-12-14-8-6-5-7-9-14/h5-10,13H,12H2,1-4H3,(H,22,23)
- InChI Key： NDMQOKDUBYJFOT-UHFFFAOYSA-N
- SMILES： O1B(C2C=NC(=C(C#N)C=2)NCC2C=CC=CC=2)OC(C)(C)C1(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 494
- Topological Polar Surface Area: 67.2
2-(Benzylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)nicotinonitrile Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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