Cas no 54239-40-6 (Benzonitrile,2-amino-3-bromo-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-)
![Benzonitrile,2-amino-3-bromo-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- structure](https://ossimg.kuujia.com/scimg/54500/54239-40-6x500.png)
54239-40-6 structure
Product Name:Benzonitrile,2-amino-3-bromo-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-
CAS No:54239-40-6
MF:C13H18BrN3O
MW:312.205522060394
CID:355094
Update Time:2024-01-28
Benzonitrile,2-amino-3-bromo-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile,2-amino-3-bromo-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-
- Benzonitrile, 2-amino-3-bromo-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-
-
- Inchi： 1S/C13H18BrN3O/c1-13(2,3)17-7-11(18)8-4-9(6-15)12(16)10(14)5-8/h4-5,11,17-18H,7,16H2,1-3H3
- InChI Key： OIVKSWSSMSKIAS-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC(C(O)CNC(C)(C)C)=CC(Br)=C1N
Computed Properties
- Exact Mass: 311.06344
Experimental Properties
- Density: 1.41±0.1 g/cm3(Predicted)
- Boiling Point: 456.5±45.0 °C(Predicted)
- PSA: 82.07
- pka: 13.42±0.20(Predicted)
Benzonitrile,2-amino-3-bromo-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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