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Substance Name: 1,4,7-Triazacyclononane-N,N',N''-tris(methylenephosphonate monoethyl ester)
RN: 133587-14-1
InChIKey: HCBDSERWVIIISK-UHFFFAOYSA-N

Note

  • A (31)P NMR probe for measurement of divalent cations in biological systems.

Molecular Formula

  • C15-H36-N3-O9-P3

Molecular Weight

  • 495.3834
 
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Names and Synonyms

Name of Substance

  • 1,4,7-Triazacyclononane-N,N',N''-tris(methylenephosphonate monoethyl ester)

Synonym

  • Notpme

Systematic Name

  • Phosphonic acid, ((hexahydro-1H-1,4,7-triazonine-1,4,7-triyl)tris(methylene))tris-, P,P',P''-triethyl ester

Registry Numbers

CAS Registry Number

  • 133587-14-1

System Generated Number

  • 0133587141

Structure Descriptors

InChI

1S/C15H36N3O9P3/c1-4-25-28(19,20)13-16-7-9-17(14-29(21,22)26-5-2)11-12-18(10-8-16)15-30(23,24)27-6-3/h4-15H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)

InChIKey

HCBDSERWVIIISK-UHFFFAOYSA-N

Smiles

CCOP(=O)(CN1CCN(CCN(CC1)CP(=O)(O)OCC)CP(=O)(O)OCC)O