Cas no 1448870-02-7 (Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]-)
![Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]- structure](https://ossimg.kuujia.com/scimg/1449000/1448870-02-7x500.png)
1448870-02-7 structure
Product Name:Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]-
CAS No:1448870-02-7
MF:C7H10BrN3O2
MW:248.07720041275
CID:2133972
Update Time:2023-11-19
Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]Ethanol
- BORQRWFHWYRHQE-UHFFFAOYSA-N
- 2-(5-Bromo-4-methoxy-pyrimidin-2-ylamino)-ethanol
- Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]-
- CID 86707762
-
- Inchi： 1S/C7H10BrN3O2/c1-13-6-5(8)4-10-7(11-6)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11)
- InChI Key： BORQRWFHWYRHQE-UHFFFAOYSA-N
- SMILES： BrC1C=NC(=NC=1OC)NCCO
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 150
- Topological Polar Surface Area: 67.3
Experimental Properties
- Density: 1.658±0.06 g/cm3(Predicted)
- Boiling Point: 405.0±55.0 °C(Predicted)
- pka: 14.48±0.10(Predicted)
Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
1448870-02-7 (Ethanol, 2-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]-) Related Products
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