Cas no 1391739-89-1 ((6-chloro-4-(isopropylamino)pyridin-3-yl)methanol)
1391739-89-1 structure
Product Name:(6-chloro-4-(isopropylamino)pyridin-3-yl)methanol
CAS No:1391739-89-1
MF:C9H13ClN2O
MW:200.665321111679
CID:2111120
Update Time:2023-11-19
(6-chloro-4-(isopropylamino)pyridin-3-yl)methanol Chemical and Physical Properties
Names and Identifiers
-
- (6-chloro-4-(isopropylamino)pyridin-3-yl)methanol
- 3-Pyridinemethanol, 6-chloro-4-[(1-methylethyl)amino]-
- DBDQQUWTCJIGTQ-UHFFFAOYSA-N
- CID 89689798
-
- Inchi： 1S/C9H13ClN2O/c1-6(2)12-8-3-9(10)11-4-7(8)5-13/h3-4,6,13H,5H2,1-2H3,(H,11,12)
- InChI Key： DBDQQUWTCJIGTQ-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=N1)CO)NC(C)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 155
- Topological Polar Surface Area: 45.2
Experimental Properties
- Density: 1.244±0.06 g/cm3(Predicted)
- Boiling Point: 372.8±42.0 °C(Predicted)
- pka: 13.22±0.10(Predicted)
(6-chloro-4-(isopropylamino)pyridin-3-yl)methanol Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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