Compound: NITRILOTRIACETIC ACID
SMILES: O=C(O)CN(CC(=O)O)CC(=O)O
InChIKey: MGFYIUFZLHCRTH-UHFFFAOYSA-N
Synonyms: NITRILOTRIACETIC ACID, 139-13-9, Triglycollamic acid, N,N-Bis(carboxymethyl)glycine, Aminotriacetic acid, 2-[bis(carboxymethyl)amino]acetic acid, Trilon A, Versene NTA acid, Hampshire NTA acid, Komplexon I, Titriplex I, Nitriloacetate, Nitrilotriessigsaeure, Glycine, N,N-bis(carboxymethyl)-, Tri(carboxymethyl)amine, Acetic acid, nitrilotri-, Nitrilo-2,2',2''-triacetic acid, 2-(bis(carboxymethyl)amino)acetic acid, CHEL 300, NCI-C02766, Kyselina nitrilotrioctova, alpha,alpha',alpha''-Trimethylaminetricarboxylic acid, DTXSID6020939, CHEBI:44557, AI3-52483, KA90006V9D, NSC-2121, DTXCID20939, NSC2121, Acid, Nitrilotriacetic, RefChem:927800, Nitrilotriacetate, Aluminum, Nitrilotriacetate, Dysprosium, N,N-bis(carboxymethoxy)glycine, 205-355-7, 2,2',2''-nitrilotriacetic acid, NTA, MFCD00004287, 49784-42-1, Nitrilotriaceticacid, CAS-139-13-9, CCRIS 436, Aminotriethanoic acid, N,N-Bis(carboxymethyl)glysine, HSDB 2853, Kyselina nitrilotrioctova [Czech], Tris(carboxymethyl)amine, NSC 2121, EINECS 205-355-7, BRN 1710776, Nitrilotriacetic acid (NTA), UNII-KA90006V9D, Nitrilotriacetic Acid; 2-[Bis(carboxymethyl)amino]acetic acid; NTA, H3nta, Potassium cadmium nitrilotriacetate, EINECS 256-488-2, WLN: QV1N1VQ1VQ, EC 205-355-7, Cambridge id 5122183, Edetic Acid EP Impurity A, NitrilotriessigsA currencyure, N(CH2-COOH)3, NTA (Nitrilotriacetic acid), SCHEMBL20409, Triglycine; Triglycine; NTA, 4-04-00-02441 (Beilstein Handbook Reference), 80751-51-5, MLS000069464, 2,2',2''-nitrilotriacetic, BIDD:ER0361, Glycine,N-bis(carboxymethyl)-, Nitrilo-2,2''-triacetic acid, orb1705377, CHEMBL1234848, Nitrilotriacetic acid (Standard), Gadobenate Dimeglumine Impurity 5, HMS2232K17, NITRILOTRIACETIC ACID [MI], CCG-2133, HY-W030778R, STR02791, NITRILOTRIACETIC ACID [HSDB], Nitrilotriacetic acid, p.a., 99%, Tox21_202195, Tox21_300156, BBL002469, BDBM50619642, EBC-47187, NITRILO-N,N,N-TRIACETIC ACID, SBB006593, STK387109, Sodium Calcium Edetate EP Impurity A, AKOS005441655, MSK15089-100W, NITRILOTRIACETIC ACID [USP-RS], DB03040, HY-W030778, NCGC00091141-01, NCGC00091141-02, NCGC00091141-03, NCGC00091141-04, NCGC00254116-01, NCGC00259744-01, BP-30104, Cadmate(1-), (N,N-bis((carboxy-kappaO)methyl)glycinato(3-)-kappaN,kappaO)-, potassium (1:1), (T-4)-, Cadmate(1-), (N,N-bis((carboxy-kappaO)methyl)glycinato(3-)-kappaN,kappaO)-, potassium, (T-4)-, SMR000054748, 2-[bis(carboxymethyl)amino]essigs&#xe4;ure, DB-042463, CS-0074802, N0098, Nitrilotriacetic acid, Sigma Grade, >=99%, NS00001715, ST50306920, EN300-19833, gadolinium(III) 2,2',2''-nitrilotriacetate, Nitrilotriacetic acid, ACS reagent, >=99.0%, Nitrilotriacetic acid, BioUltra, >=99.0% (T), .alpha.,.alpha.''-Trimethylaminetricarboxylic acid, A,A',A''-TRIMETHYLAMINETRICARBOXYLIC ACID, DISODIUM EDETATE IMPURITY A [EP IMPURITY], F242824, Nitrilotriacetic acid Solution in Water, 100ug/mL, Q425340, F1905-6980, SODIUM CALCIUM EDETATE IMPURITY A [EP IMPURITY], Z104475690, Nitrilotriacetic acid, United States Pharmacopeia (USP) Reference Standard, Potassium (N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'')cadmate(1-), Nitrilotriacetic acid, Pharmaceutical Secondary Standard; Certified Reference Material, 22696-91-9
Theoretical properties:
molecular_formula: C6H9NO6
molecular_weight: 191.14 g/mol
exact_mass: 191.04298701 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 6
heavy_atom_count: 13
topological_polar_surface_area: 115 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Prismatic crystals from hot water
color: Prismatic crystals from hot water
boiling_point: Solid decomposes (NTP, 1992)
melting_point: 475 °F (decomposes) (NTP, 1992)
density: greater than 1 at 68 °F (USCG, 1999)
solubility: less than 0.1 mg/mL at 73 °F (NTP, 1992)
vapor_pressure: 0.00000001 [mmHg]
Descriptions:
pubchem: Nitrilotriacetic Acid can cause cancer according to an independent committee of scientific and health experts.
chembl: NITRILOTRIACETIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Nitrilotriacetic acid (NTA) is the aminopolycarboxylic acid with the formula N(CH2CO2H)3. It is a colourless solid. Its conjugate base nitrilotriacetate is used as a chelating agent for Ca2+, Co2+, Cu2+, and Fe3+.