Cas no 5625-47-8 (2,5-Piperazinedione, 3,6-dipropyl-)
5625-47-8 structure
Product Name:2,5-Piperazinedione, 3,6-dipropyl-
CAS No:5625-47-8
MF:C10H18N2O2
MW:198.262122631073
CID:349400
PubChem ID:12206393
Update Time:2025-04-19
2,5-Piperazinedione, 3,6-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Piperazinedione, 3,6-dipropyl-
- 3,6-dipropylpiperazine-2,5-dione
- DTXSID30480432
- SCHEMBL13545642
- 2,5-Dipropyl-diketo-piperazin
- AKOS014212854
- 5625-47-8
-
- Inchi： 1S/C10H18N2O2/c1-3-5-7-9(13)12-8(6-4-2)10(14)11-7/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13)
- InChI Key： KHFKCDGGFAJKOO-UHFFFAOYSA-N
- SMILES： O=C1C(CCC)NC(C(CCC)N1)=O
Computed Properties
- Exact Mass: 198.13694
- Monoisotopic Mass: 198.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 204
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
2,5-Piperazinedione, 3,6-dipropyl- Related Literature
-
Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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