Cas no 1448870-01-6 (Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)methylamino]-)
![Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)methylamino]- structure](https://ossimg.kuujia.com/scimg/1449000/1448870-01-6x500.png)
1448870-01-6 structure
Product Name:Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)methylamino]-
CAS No:1448870-01-6
MF:C8H12BrN3O2
MW:262.10378074646
CID:2133973
Update Time:2023-11-19
Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)methylamino]- Chemical and Physical Properties
Names and Identifiers
-
- 2-[(5-bromo-4-methoxy-2-pyrimidinyl)methylamino]Ethanol
- IZYOPUUROQOICZ-UHFFFAOYSA-N
- 2-[(5-Bromo-4-methoxy-pyrimidin-2-yl)-methyl-amino]-ethanol
- Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)methylamino]-
- CID 86707761
-
- Inchi： 1S/C8H12BrN3O2/c1-12(3-4-13)8-10-5-6(9)7(11-8)14-2/h5,13H,3-4H2,1-2H3
- InChI Key： IZYOPUUROQOICZ-UHFFFAOYSA-N
- SMILES： BrC1C=NC(=NC=1OC)N(C)CCO
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 173
- Topological Polar Surface Area: 58.5
Experimental Properties
- Density: 1.559±0.06 g/cm3(Predicted)
- Boiling Point: 390.9±52.0 °C(Predicted)
- pka: 14.22±0.10(Predicted)
Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)methylamino]- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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