Sodium (ethylenediamine)tetramethylenephosphonate

C₆H₁₉N₂NaO₁₂P₄CAS 22036-77-7458.10 g/mol

Open in Covalent MOL file

Phosphonate Tertiary amine

Properties

Molecular formula: C₆H₁₉N₂NaO₁₂P₄
Molar mass: 458.10 g/mol
Exact mass: 457.9786 Da
logP: -2.25Crippen estimate
Polar surface area: 236.6 Å²
H-bond donors / acceptors: 8 / 6
Rotatable bonds: 11

Identifiers

CAS number

22036-77-7

SMILES

[O-]P(=O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O.[Na+]

InChIKey

YIPHIVFATQTYEL-UHFFFAOYSA-N

InChI

InChI=1S/C6H20N2O12P4.Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Phosphonic acid, P,P′,P′′,P′′′-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt (1:?)
Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt
Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt
Sequion 30na30
Ethylenediaminetetrakis(methylenephosphonic acid) sodium salt
Sequion D 30
Briquest 422
Sodium EDTMPA

Work with Sodium (ethylenediamine)tetramethylenephosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dequest 206622042-96-297 % similar Edtmp1429-50-161 % similar Pentasodium aminotris(methylphosphonic acid)2235-43-059 % similar Dtpmp15827-60-859 % similar Hexanediaminetetra(methylenephosphonic acid)23605-74-550 % similar P,P′,P′′,P′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]34690-00-148 % similar Polaris2439-99-837 % similar N-(Phosphonomethyl)iminodiacetic acid5994-61-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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