Cas no 78510-21-1 (2,5-Piperazinedione,3-(4-aminobutyl)-)
78510-21-1 structure
Product Name:2,5-Piperazinedione,3-(4-aminobutyl)-
CAS No:78510-21-1
MF:C8H15N3O2
MW:185.223601579666
CID:553307
PubChem ID:45115649
Update Time:2025-04-19
2,5-Piperazinedione,3-(4-aminobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Piperazinedione,3-(4-aminobutyl)-
- 2,5-Piperazinedione,3-(4-aminobutyl)-(9CI)
- 3-(4-aminobutyl)piperazine-2,5-dione
- 78510-21-1
- DTXSID90668279
- SCHEMBL21683109
-
- 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)
- InChI Key： OGQVYQIZUYYYKI-UHFFFAOYSA-N
- SMILES： O=C1C(CCCCN)NC(CN1)=O
Computed Properties
- Exact Mass: 185.116
- Monoisotopic Mass: 185.116
- 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: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 84.2A^2
- XLogP3: -1.1
2,5-Piperazinedione,3-(4-aminobutyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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