Cas no 1506-45-2 (2,6-Piperazinedione,4,4'-(1,2-cyclohexanediyl)bis-)
1506-45-2 structure
Product Name:2,6-Piperazinedione,4,4'-(1,2-cyclohexanediyl)bis-
CAS No:1506-45-2
MF:C14H20N4O4
MW:308.333003044128
CID:222631
PubChem ID:281808
Update Time:2025-04-19
2,6-Piperazinedione,4,4'-(1,2-cyclohexanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Piperazinedione,4,4'-(1,2-cyclohexanediyl)bis-
- 4-[2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
- 1,2-Diaminocyclohexantetraessigsaeurediimid
- 4,4'-cyclohexane-1,2-diyl-bis-piperazine-2,6-dione
- 4,4'-cyclohexane-1,2-diyldipiperazine-2,6-dione
- AC1L5V4A
- AC1Q6NYR
- AG-J-54346
- AGN-PC-003NQ4
- AR-1F7812
- CTK4C6723
- NSC134695
- SureCN9846852
- NSC-134695
- DTXSID10300083
- 4,4'-(Cyclohexane-1,2-diyl)di(piperazine-2,6-dione)
- SCHEMBL9846852
- 1506-45-2
-
- Inchi： 1S/C14H20N4O4/c19-11-5-17(6-12(20)15-11)9-3-1-2-4-10(9)18-7-13(21)16-14(22)8-18/h9-10H,1-8H2,(H,15,19,20)(H,16,21,22)
- InChI Key： NFOMSYBJOILKIS-UHFFFAOYSA-N
- SMILES： O=C1CN(CC(N1)=O)C1CCCCC1N1CC(NC(C1)=O)=O
Computed Properties
- Exact Mass: 308.1486
- Monoisotopic Mass: 308.14845513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 443
- 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: -0.5
- Topological Polar Surface Area: 98.8?2
Experimental Properties
- PSA: 98.82
2,6-Piperazinedione,4,4'-(1,2-cyclohexanediyl)bis- Related Literature
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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