Cas no 643084-42-8 (1-(3-hydroxypropyl)piperazin-2-one)
643084-42-8 structure
Product Name:1-(3-hydroxypropyl)piperazin-2-one
CAS No:643084-42-8
MF:C7H14N2O2
MW:158.198261737823
CID:1677218
PubChem ID:45088573
Update Time:2025-04-21
1-(3-hydroxypropyl)piperazin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-hydroxypropyl)piperazin-2-one
- Piperazinone, 1-(3-hydroxypropyl)- (9CI)
- 643084-42-8
- SCHEMBL4028081
- PIPERAZINONE, 1-(3-HYDROXYPROPYL)-
- WXYGSWODSMFEGV-UHFFFAOYSA-N
- DTXSID80666305
- DB-277784
- AKOS011593352
-
- Inchi： 1S/C7H14N2O2/c10-5-1-3-9-4-2-8-6-7(9)11/h8,10H,1-6H2
- InChI Key： WXYGSWODSMFEGV-UHFFFAOYSA-N
- SMILES： O=C1CNCCN1CCCO
Computed Properties
- Exact Mass: 158.105527694g/mol
- Monoisotopic Mass: 158.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 138
- 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: -1.2
- Topological Polar Surface Area: 52.6?2
1-(3-hydroxypropyl)piperazin-2-one Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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