Cas no 78085-51-5 (gadolinium 1,4,7-triazacyclononane-N,N',N''-triacetic acid)
78085-51-5 structure
Product Name:gadolinium 1,4,7-triazacyclononane-N,N',N''-triacetic acid
CAS No:78085-51-5
MF:C12H18GdN3O6
MW:457.537823200226
CID:566858
Update Time:2023-11-18
gadolinium 1,4,7-triazacyclononane-N,N',N''-triacetic acid Chemical and Physical Properties
Names and Identifiers
-
- Gadolinium,[hexahydro-1H-1,4,7-triazonine-1,4,7-triacetato(3-)]-, (OC-6-22)- (9CI)
- gadolinium 1,4,7-triazacyclononane-N,N',N''-triacetic acid
- 1H-1,4,7-Triazonine,gadolinium deriv.
- 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-,gadolinium complex
- Gd-Nota
- CID 90196840
-
- Inchi： 1S/C12H21N3O6.Gd/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21;/h1-9H2,(H,16,17)(H,18,19)(H,20,21);/q;+3/p-3
- InChI Key： NFOPCCIRCPLUQF-UHFFFAOYSA-K
- SMILES： [Gd+3].[O-]C(CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 304
- Topological Polar Surface Area: 130
gadolinium 1,4,7-triazacyclononane-N,N',N''-triacetic acid Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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