chempirical

Nitrilotriacetic acid

C6H9NO6CAS 139-13-9191.14 g/mol

Open in Covalent MOL file
OHONOOHOOH
Carboxylic acidTertiary amine

Properties

Molecular formula
C6H9NO6
Molar mass
191.14 g/mol
Exact mass
191.0430 Da
Density
above 1 g/mL (at 20 °C)
Melting point
242 °C (decomposes)
logP
-1.46Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Identifiers

CAS number
139-13-9
SMILES
O=C(O)CN(CC(=O)O)CC(=O)O
InChIKey
MGFYIUFZLHCRTH-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

27 names · show all
  • Acetic acid, nitrilotri-
  • N,N-Bis(carboxymethyl)glycine
  • Chel 300
  • Complexon I
  • Glycine, N,N-bis(carboxymethyl)-
  • NTA
  • Triglycollamic acid
  • Nitrilo-2,2′,2′′-triacetic acid
  • Titriplex I
  • α,α′,α′′-Trimethylaminetricarboxylic acid
  • Triglycine
  • Hampshire NTA acid
  • Versene NTA acid
  • Chelest NT
  • Nitrilotris(methylenecarboxylic acid)
  • Dissolvine A
  • NSC 2121
  • Tris(hydroxycarbonylmethyl)amine
  • Nitrilo-N,N,N-triacetic acid
  • 412: PN: WO2007070372 PAGE: 72 claimed protein
  • Trilon AS
  • Tris(carboxymethyl)amine
  • Dissolvine AZ
  • N 0098
  • (Bis-carboxymethyl-amino)-acetic acid
  • Glycine-N,N-diacetic acid
  • 2-[Bis(carboxymethyl)amino]acetic acid

Work with Nitrilotriacetic acid

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

Ethylenediaminetetraacetic acid60-00-478 % similar Dota (chelator)60239-18-178 % similar Pentetic acid67-43-674 % similar Triethylenetetraminehexaacetic acid869-52-374 % similar Pdta1939-36-270 % similar Ada (buffer)26239-55-468 % similar Hexamethylenediaminetetraacetic acid1633-00-767 % similar Diammonium edta20824-56-067 % similar

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

Same formula

Isosorbide mononitrate16051-77-7

Elsewhere

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