Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nitrilotriacetic acid
RN: 139-13-9
UNII: KA90006V9D
InChIKey: MGFYIUFZLHCRTH-UHFFFAOYSA-N

Note

  • A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)

Molecular Formula

  • C6-H9-N-O6

Molecular Weight

  • 191.138
 

Classification Codes

Classification Codes

  • Chelating Agents
  • Mutation Data
  • Sequestering Agents
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen

Names and Synonyms

Results Name

  • Nitrilotriacetic acid

Name of Substance

  • Nitrilotriacetic acid
  • Triglycollamic acid

MeSH Heading

  • Nitrilotriacetic acid

Synonyms

  • 4-04-00-02441 (Beilstein Handbook Reference)
  • Acetic acid, nitrilotri-
  • AI3-52483
  • alpha,alpha',alpha''-Trimethylaminetricarboxylic acid
  • Aminotriacetic acid
  • BRN 1710776
  • CCRIS 436
  • CHEL 300
  • Complexon I
  • EC 205-355-7
  • EINECS 205-355-7
  • Glycine, N,N-bis(carboxymethyl)-
  • Hampshire NTA acid
  • HSDB 2853
  • Komplexon I
  • Kyselina nitrilotrioctova
  • Kyselina nitrilotrioctova [Czech]
  • N,N-Bis(carboxymethyl)glycine
  • NCI-C02766
  • Nitrilo-2,2',2''-triacetic acid
  • Nitriloacetate
  • Nitrilotriacetate
  • Nitrilotriacetic acid
  • Nitrilotriessigsaeure
  • NSC 2121
  • NTA
  • Titriplex I
  • Tri(carboxymethyl)amine
  • Triglycine
  • Triglycollamic acid
  • Trilon A
  • UNII-KA90006V9D
  • Versene NTA acid

Systematic Names

  • Acetic acid, nitrilotri-
  • Glycine, N,N-bis(carboxymethyl)-
  • Nitrilotriacetic acid

Superlist Names

  • Aminotriethanoic acid
  • Glycine, N,N-bis(carboxymethyl)-
  • Nitrilotriacetic acid
  • NTA

Registry Numbers

CAS Registry Number

  • 139-13-9

FDA UNII

  • KA90006V9D

Other Registry Numbers

  • 26627-44-1
  • 26627-45-2
  • 80751-51-5

System Generated Number

  • 0000139139

Structure Descriptors

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)

InChIKey

MGFYIUFZLHCRTH-UHFFFAOYSA-N

Smiles

N(CC(O)=O)(CC(O)=O)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 325mg/kg (325mg/kg)   CRC Critical Reviews in Toxicology. Vol. 20, Pg. 83, 1989.
mouse LD50 oral 3160mg/kg (3160mg/kg)   Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973,
rat LD50 oral 1100mg/kg (1100mg/kg)   Angewandte Chemie, International Edition in English. Vol. 14, Pg. 94, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 242 dec deg C   EXP
pKa Dissociation Constant 3.03 (none) 20 EXP
log P (octanol-water) -3.810 (none)   EST
Water Solubility 5.91E+04 mg/L 25 EXP
Vapor Pressure 7.00E-09 mm Hg 25 EST
Henry's Law Constant 1.30E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.90E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.