Cas no 188609-47-4 (2,2',2''-(10-Glycyl-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetamide)
188609-47-4 structure
Product Name:2,2',2''-(10-Glycyl-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetamide
CAS No:188609-47-4
MF:C16H32N8O4
MW:400.476482391357
CID:2785644
PubChem ID:71348550
Update Time:2025-04-21
2,2',2''-(10-Glycyl-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetamide Chemical and Physical Properties
Names and Identifiers
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- 188609-47-4
- 2,2',2''-(10-Glycyl-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetamide
- DTXSID50774446
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- Inchi： 1S/C16H32N8O4/c17-9-16(28)24-7-5-22(11-14(19)26)3-1-21(10-13(18)25)2-4-23(6-8-24)12-15(20)27/h1-12,17H2,(H2,18,25)(H2,19,26)(H2,20,27)
- InChI Key： OPCQPAWHMCYACZ-UHFFFAOYSA-N
- SMILES： O=C(CN)N1CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC1
Computed Properties
- Exact Mass: 400.25465153Da
- Monoisotopic Mass: 400.25465153Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 527
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.5
- Topological Polar Surface Area: 185?2
2,2',2''-(10-Glycyl-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetamide Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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