Cas no 915411-85-7 (3-Pyridinamine, N-(3-bromo-5-methylphenyl)-)
915411-85-7 structure
Product Name:3-Pyridinamine, N-(3-bromo-5-methylphenyl)-
CAS No:915411-85-7
MF:C12H11BrN2
MW:263.133141756058
CID:1965642
Update Time:2024-12-27
3-Pyridinamine, N-(3-bromo-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinamine, N-(3-bromo-5-methylphenyl)-
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- Inchi: 1S/C12H11BrN2/c1-9-5-10(13)7-12(6-9)15-11-3-2-4-14-8-11/h2-8,15H,1H3
- InChI Key: VISQEHQUYBTFNF-UHFFFAOYSA-N
- SMILES: C1=NC=CC=C1NC1=CC(C)=CC(Br)=C1
Computed Properties
- Exact Mass: 262.011
- Monoisotopic Mass: 262.011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 198
- 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
- Topological Polar Surface Area: 24.9A^2
Experimental Properties
- Density: 1.452±0.06 g/cm3(Predicted)
- Boiling Point: 369.6±32.0 °C(Predicted)
- pka: 5.48±0.11(Predicted)
3-Pyridinamine, N-(3-bromo-5-methylphenyl)- Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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