Cas no 90123-69-6 (2,5-Piperazinedione, 3-butyl-)
2,5-Piperazinedione, 3-butyl- structure
Product Name:2,5-Piperazinedione, 3-butyl-
CAS No:90123-69-6
MF:C8H14N2O2
MW:170.208961963654
CID:793875
PubChem ID:71430266
Update Time:2025-04-19
2,5-Piperazinedione, 3-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Piperazinedione, 3-butyl-
- 3-butylpiperazine-2,5-dione
- DTXSID30848891
- 90123-69-6
-
- Inchi： 1S/C8H14N2O2/c1-2-3-4-6-8(12)9-5-7(11)10-6/h6H,2-5H2,1H3,(H,9,12)(H,10,11)
- InChI Key： DSZKJRXALGGCAQ-UHFFFAOYSA-N
- SMILES： O=C1C(CCCC)NC(CN1)=O
Computed Properties
- Exact Mass: 170.105527694g/mol
- Monoisotopic Mass: 170.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 192
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 58.2?2
2,5-Piperazinedione, 3-butyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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