Cas no 1411986-01-0 (N-(6-bromopyridin-2-yl)-4-isopropylpyridin-2-amine)
1411986-01-0 structure
Product Name:N-(6-bromopyridin-2-yl)-4-isopropylpyridin-2-amine
CAS No:1411986-01-0
MF:C13H14BrN3
MW:292.17436170578
CID:2127242
Update Time:2023-11-19
N-(6-bromopyridin-2-yl)-4-isopropylpyridin-2-amine Chemical and Physical Properties
Names and Identifiers
-
- N-(6-bromopyridin-2-yl)-4-isopropylpyridin-2-amine
- CID 90092354
- 2-Pyridinamine, N-(6-bromo-2-pyridinyl)-4-(1-methylethyl)-
-
- Inchi： 1S/C13H14BrN3/c1-9(2)10-6-7-15-13(8-10)17-12-5-3-4-11(14)16-12/h3-9H,1-2H3,(H,15,16,17)
- InChI Key： ADFKOFIGSFIHRF-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=N1)NC1C=C(C=CN=1)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 235
- Topological Polar Surface Area: 37.8
Experimental Properties
- Density: 1.403±0.06 g/cm3(Predicted)
- Boiling Point: 373.9±42.0 °C(Predicted)
- pka: 4.43±0.10(Predicted)
N-(6-bromopyridin-2-yl)-4-isopropylpyridin-2-amine Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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