Cas no 695812-81-8 (Ethanone,2-chloro-1-(4-propyl-1-piperazinyl)-)
695812-81-8 structure
Product Name:Ethanone,2-chloro-1-(4-propyl-1-piperazinyl)-
CAS No:695812-81-8
MF:C9H17ClN2O
MW:204.697081327438
CID:500476
PubChem ID:16794855
Update Time:2025-04-19
Ethanone,2-chloro-1-(4-propyl-1-piperazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-chloro-1-(4-propyl-1-piperazinyl)-
- 2-chloro-1-(4-propylpiperazin-1-yl)ethanone
- Piperazine, 1-(chloroacetyl)-4-propyl- (9CI)
- 2-Chloro-1-(4-propylpiperazin-1-yl)ethan-1-one
- DTXSID10588622
- 695812-81-8
- AKOS000150706
-
- Inchi： 1S/C9H17ClN2O/c1-2-3-11-4-6-12(7-5-11)9(13)8-10/h2-8H2,1H3
- InChI Key： ZMISUNLWIGFBQA-UHFFFAOYSA-N
- SMILES： ClCC(N1CCN(CCC)CC1)=O
Computed Properties
- Exact Mass: 204.10311
- Monoisotopic Mass: 204.1029409g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 23.55
Ethanone,2-chloro-1-(4-propyl-1-piperazinyl)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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