Introduction：Basic information about CAS 137076-54-1|Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate |
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| CAS Number | 137076-54-1 | Molecular Weight | 572.734 |
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| Density | 1.079 | Boiling Point | 632.1±55.0 °C at 760 mmHg |
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| Molecular Formula | C28H52N4O8 | Melting Point | 129-131 ºC |
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| MSDS | / | Flash Point | 336.1±31.5 °C |
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Names
| Name | 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | DOTA-tri(t-butyl ester) can be used in the synthesis of generations 3 (G3) nanoglobular magnetic resonance imaging (MRI) contrast agents for MR angiography and tumor angiogenesis imaging[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Kaneshiro TL, et, al. Synthesis and evaluation of globular Gd-DOTA-monoamide conjugates with precisely controlled nanosizes for magnetic resonance angiography. Biomacromolecules. 2008 Oct;9(10):2742-8. |
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Chemical & Physical Properties
| Density | 1.079 |
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| Boiling Point | 632.1±55.0 °C at 760 mmHg |
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| Melting Point | 129-131 ºC |
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| Molecular Formula | C28H52N4O8 |
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| Molecular Weight | 572.734 |
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| Flash Point | 336.1±31.5 °C |
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| Exact Mass | 572.378540 |
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| PSA | 129.16000 |
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| LogP | 3.76 |
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| Vapour Pressure | 0.0±4.0 mmHg at 25°C |
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| Index of Refraction | 1.480 |
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| InChIKey | RVUXZXMKYMSWOM-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1 |
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26 |
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Synonyms
| 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester |
| 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester |
| DOTA-tri-t-Bu-ester |
| DOTA-Tris(Tbu ester) |
| DOTA-tris-tert-butyl ester |
| 2-(1,4,7,10-tetraaza-4,7,10-tris(((tert-butyl)-oxycarbonyl)methyl)cyclododecyl)acetic acid |
| TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD |
| DOTA-(t-butyl ester)3-CO2H |
| TPC-M011 |
| DOTA-tri-tert-butyl-ester |
| (4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid |
| 2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID |
| [4,7,10-Tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid |
| 1,4,7-tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane |
| Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate |
| DOTA-(tert-butyl ester)3-CO2H |
| MFCD02259697 |
| 1,4,7,10-Tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-acetic acid |
