Cas no 57022-32-9 (2,5-Piperazinedione,3-(4-aminobutyl)-,(S)-(9CI))
57022-32-9 structure
Product Name:2,5-Piperazinedione,3-(4-aminobutyl)-,(S)-(9CI)
CAS No:57022-32-9
MF:C8H15N3O2
MW:185.223601579666
CID:946346
PubChem ID:45115653
Update Time:2025-04-19
2,5-Piperazinedione,3-(4-aminobutyl)-,(S)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Piperazinedione,3-(4-aminobutyl)-,(S)-(9CI)
- (3S)-3-(4-AMINOBUTYL)PIPERAZINE-2,5-DIONE
- AG-G-00834
- CTK5A6168
- 57022-32-9
- SCHEMBL21683106
- DTXSID60668281
-
- Inchi： 1S/C8H15N3O2/c9-4-2-1-3-6-8(13)10-5-7(12)11-6/h6H,1-5,9H2,(H,10,13)(H,11,12)/t6-/m0/s1
- InChI Key： OGQVYQIZUYYYKI-LURJTMIESA-N
- SMILES： O=C1[C@H](CCCCN)NC(CN1)=O
Computed Properties
- Exact Mass: 185.11600
- Monoisotopic Mass: 185.116426730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 84.2?2
Experimental Properties
- PSA: 84.22000
- LogP: 0.08790
2,5-Piperazinedione,3-(4-aminobutyl)-,(S)-(9CI) Related Literature
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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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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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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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