1338231-09-6

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1338231-09-6 Structure

Identification	Back Directory
[Name] 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1-(2,5-dioxo-1-pyrrolidinyl) ester
[CAS] 1338231-09-6
[Synonyms] NOTA-NHS ester
[Molecular Formula] C16H22N4O8
[MDL Number] MFCD30747764
[MOL File] 1338231-09-6.mol
[Molecular Weight] 398.368

Chemical Properties	Back Directory
[Boiling point ] 622.7±65.0 °C(Predicted)
[density ] 1.50±0.1 g/cm3(Predicted)
[storage temp. ] Storage temp. -20°C
[pka] 4.07±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] InChI=1S/C16H22N4O8/c21-12-1-2-13(22)20(12)28-16(27)11-19-7-5-17(9-14(23)24)3-4-18(6-8-19)10-15(25)26/h5,7H,1-4,6,8-11H2,(H,23,24)(H,25,26)/b7-5-
[InChIKey] QAJQJAXNNKILJK-ALCCZGGFSA-N
[SMILES] N1(CC(ON2C(=O)CCC2=O)=O)C=CN(CC(O)=O)CCN(CC(O)=O)CC1 \|c:13\|

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