Cas no 59702-02-2 (Piperazinone, 4-butyl- (9CI))
Piperazinone, 4-butyl- (9CI) structure
Product Name:Piperazinone, 4-butyl- (9CI)
CAS No:59702-02-2
MF:C8H16N2O
MW:156.225441932678
CID:950533
PubChem ID:13704284
Update Time:2025-04-19
Piperazinone, 4-butyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazinone, 4-butyl- (9CI)
- 1-BUTYLPIPERAZIN-2-ONE
- 4-butylpiperazin-2-one
- AG-G-12958
- AGN-PC-00NN30
- CTK5B0333
- KB-241027
- Piperazinone, 4-butyl-
- SureCN9029619
- 59702-02-2
- SCHEMBL9029619
- DB-327248
- Piperazinone,4-butyl-(9ci)
- DTXSID90547171
-
- Inchi： 1S/C8H16N2O/c1-2-3-5-10-6-4-9-8(11)7-10/h2-7H2,1H3,(H,9,11)
- InChI Key： LCGVHAGARVWRLC-UHFFFAOYSA-N
- SMILES： O=C1CN(CCN1)CCCC
Computed Properties
- Exact Mass: 156.12638
- Monoisotopic Mass: 156.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 136
- 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: 0.6
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
Piperazinone, 4-butyl- (9CI) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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