Cas no 1449301-71-6 (5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine)
1449301-71-6 structure
Product Name:5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine
CAS No:1449301-71-6
MF:C11H16BBrN2O2
MW:298.971941947937
CID:2135834
Update Time:2023-11-19
5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine Chemical and Physical Properties
Names and Identifiers
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- 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine
- 5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
- ZYDXJCGHPMGSOG-UHFFFAOYSA-N
- CID 86700076
- 2-Pyridinamine, 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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- Inchi： 1S/C11H16BBrN2O2/c1-10(2)11(3,4)17-12(16-10)8-5-7(13)6-15-9(8)14/h5-6H,1-4H3,(H2,14,15)
- InChI Key： ZYDXJCGHPMGSOG-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C(B2OC(C)(C)C(C)(C)O2)=C1)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 285
- Topological Polar Surface Area: 57.4
Experimental Properties
- Density: 1.39±0.1 g/cm3(Predicted)
- Boiling Point: 372.9±42.0 °C(Predicted)
- pka: 4.92±0.49(Predicted)
5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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