Cas no 643084-44-0 (2-Piperazinone,1-(3-hydroxypropyl)-4-methyl-)
643084-44-0 structure
Product Name:2-Piperazinone,1-(3-hydroxypropyl)-4-methyl-
CAS No:643084-44-0
MF:C8H16N2O2
MW:172.224842071533
CID:500294
PubChem ID:45099587
Update Time:2025-04-19
2-Piperazinone,1-(3-hydroxypropyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperazinone,1-(3-hydroxypropyl)-4-methyl-
- 1-(3-HYDROXYPROPYL)-4-METHYLPIPERAZIN-2-ONE
- Piperazinone, 1-(3-hydroxypropyl)-4-methyl- (9CI)
- MRHHDNISCHATBJ-UHFFFAOYSA-N
- 643084-44-0
- Piperazinone,1-(3-hydroxypropyl)-4-methyl-(9ci)
- DTXSID70667982
- SCHEMBL4024912
-
- Inchi： 1S/C8H16N2O2/c1-9-4-5-10(3-2-6-11)8(12)7-9/h11H,2-7H2,1H3
- InChI Key： MRHHDNISCHATBJ-UHFFFAOYSA-N
- SMILES： O=C1CN(C)CCN1CCCO
Computed Properties
- Exact Mass: 172.12128
- Monoisotopic Mass: 172.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 161
- 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
- Topological Polar Surface Area: 43.8A^2
- XLogP3: -0.8
Experimental Properties
- PSA: 43.78
- LogP: -0.98140
2-Piperazinone,1-(3-hydroxypropyl)-4-methyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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