Cas no 2806719-57-1 (2,3-bis(methyl-d3)piperazine-2,3,5,5,6,6-d6)
2806719-57-1 structure
Product Name:2,3-bis(methyl-d3)piperazine-2,3,5,5,6,6-d6
CAS No:2806719-57-1
MF:C6H14N2
MW:126.262701511383
CID:6827084
PubChem ID:172403853
Update Time:2025-02-19
2,3-bis(methyl-d3)piperazine-2,3,5,5,6,6-d6 Chemical and Physical Properties
Names and Identifiers
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- 2,3-bis(methyl-d3)piperazine-2,3,5,5,6,6-d6
- CS-25344
- 2806719-57-1
-
- Inchi： 1S/C6H14N2/c1-5-6(2)8-4-3-7-5/h5-8H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2,5D,6D
- InChI Key： COWPTMLRSANSMQ-BAPREJARSA-N
- SMILES： N1C([2H])([2H])C([2H])([2H])NC([2H])(C([2H])([2H])[2H])C1([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 126.191019406Da
- Monoisotopic Mass: 126.191019406Da
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 62.9
- 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
- Topological Polar Surface Area: 24.1?2
2,3-bis(methyl-d3)piperazine-2,3,5,5,6,6-d6 Related Literature
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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