Cas no 59702-11-3 (Piperazinone, 1-pentyl- (9CI))
Piperazinone, 1-pentyl- (9CI) structure
Product Name:Piperazinone, 1-pentyl- (9CI)
CAS No:59702-11-3
MF:C9H18N2O
MW:170.252022266388
CID:950538
PubChem ID:45099550
Update Time:2025-04-19
Piperazinone, 1-pentyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazinone, 1-pentyl- (9CI)
- 1-(3-METHYLBUTYL)PIPERAZIN-2-ONE
- 1-pentylpiperazin-2-one
- PIPERAZINONE, 1-PENTYL-
- AKOS011595416
- DTXSID40667954
- DB-327245
- SCHEMBL161338
- 59702-11-3
-
- Inchi： 1S/C9H18N2O/c1-2-3-4-6-11-7-5-10-8-9(11)12/h10H,2-8H2,1H3
- InChI Key： VKKFZFFHARJMSE-UHFFFAOYSA-N
- SMILES： O=C1CNCCN1CCCCC
Computed Properties
- Exact Mass: 170.141913202g/mol
- Monoisotopic Mass: 170.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 148
- 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: 0.9
- Topological Polar Surface Area: 32.3?2
Piperazinone, 1-pentyl- (9CI) Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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