Cas no 125093-10-9 (Piperazine,2,5-dimethyl-1,4-dinitroso-, trans- (9CI))
125093-10-9 structure
Product Name:Piperazine,2,5-dimethyl-1,4-dinitroso-, trans- (9CI)
CAS No:125093-10-9
MF:C6H12N4O2
MW:172.185080528259
CID:103624
PubChem ID:21817725
Update Time:2025-04-18
Piperazine,2,5-dimethyl-1,4-dinitroso-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazine,2,5-dimethyl-1,4-dinitroso-, trans- (9CI)
- (2R,5S)-2,5-DIMETHYL-1,4-DINITROSOPIPERAZINE
- 125093-10-9
- Piperazine, 2,5-dimethyl-1,4-dinitroso-, trans- (9CI)
-
- Inchi： 1S/C6H12N4O2/c1-5-3-10(8-12)6(2)4-9(5)7-11/h5-6H,3-4H2,1-2H3/t5-,6+
- InChI Key： ZDRKXNMKZRFCCW-OLQVQODUSA-N
- SMILES： O=NN1C[C@@H](C)N(C[C@@H]1C)N=O
Computed Properties
- Exact Mass: 172.09616
- Monoisotopic Mass: 172.09602564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 65.3?2
Experimental Properties
- PSA: 65.34
Piperazine,2,5-dimethyl-1,4-dinitroso-, trans- (9CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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