Cas no 6961-30-4 (1-Piperazineethanol,4,4'-(6-chloro-2,4-pyrimidinediyl)di-, dihydrochloride (8CI))
6961-30-4 structure
Product Name:1-Piperazineethanol,4,4'-(6-chloro-2,4-pyrimidinediyl)di-, dihydrochloride (8CI)
CAS No:6961-30-4
MF:C16H27ClN6O2
MW:370.877581834793
CID:528195
PubChem ID:414749
Update Time:2025-04-19
1-Piperazineethanol,4,4'-(6-chloro-2,4-pyrimidinediyl)di-, dihydrochloride (8CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Piperazineethanol,4,4'-(6-chloro-2,4-pyrimidinediyl)di-, dihydrochloride (8CI)
- 2-[4-[4-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]piperazin-1-yl]ethanol
- 2-[4-[6-chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
- AC1L98B8
- AG-G-71171
- CTK5D0604
- KB-227088
- NSC63480
- 6961-30-4
- DTXSID40328876
- 1-Piperazineethanol,4,4'-(6-chloro-2,4-pyrimidinediyl)di-,dihydrochloride(8ci)
-
- Inchi： 1S/C16H27ClN6O2/c17-14-13-15(22-5-1-20(2-6-22)9-11-24)19-16(18-14)23-7-3-21(4-8-23)10-12-25/h13,24-25H,1-12H2
- InChI Key： YOBPZQKKOVTXEJ-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)N1CCN(CCO)CC1)N1CCN(CCO)CC1
Computed Properties
- Exact Mass: 370.18871
- Monoisotopic Mass: 406.16508
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 391
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 79.2
- XLogP3: 0.3
Experimental Properties
- Density: 1.302
- Boiling Point: 606°C at 760 mmHg
- Flash Point: 320.3°C
- Refractive Index: 1.594
- PSA: 79.2
- LogP: 0.16640
1-Piperazineethanol,4,4'-(6-chloro-2,4-pyrimidinediyl)di-, dihydrochloride (8CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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