Cas no 144576-60-3 (1,4,7,10-Tetraazacyclododecane--water (1/3))
144576-60-3 structure
Product Name:1,4,7,10-Tetraazacyclododecane--water (1/3)
CAS No:144576-60-3
MF:C8H26N4O3
MW:226.317041873932
CID:2777631
PubChem ID:71345808
Update Time:2025-04-21
1,4,7,10-Tetraazacyclododecane--water (1/3) Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10-Tetrazacyclododecane;trihydrate
- DTXSID20772055
- DTXCID80722798
- 1,4,7,10-Tetraazacyclododecane--water (1/3)
- 144576-60-3
-
- Inchi： 1S/C8H20N4.3H2O/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;/h9-12H,1-8H2;3*1H2
- InChI Key： LZHZXGCLZNBYQR-UHFFFAOYSA-N
- SMILES： O.O.O.N1CCNCCNCCNCC1
Computed Properties
- Exact Mass: 226.20049070Da
- Monoisotopic Mass: 226.20049070Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 65.1
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.1?2
1,4,7,10-Tetraazacyclododecane--water (1/3) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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