1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[bis(carboxylatomethyl)amino]acetate;hydron;nickel(2+)

2.1.2 InChI

InChI=1S/C6H9NO6.Ni/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2

2.1.3 InChI Key

ADHAUWMNDHMUMH-UHFFFAOYSA-L

2.1.4 Canonical SMILES

[H+].C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Ni+2]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ni(2+)-nitrilotriacetate

2. Ni(2+)-nta

3. Nickel Nitrilotriacetic Acid

2.2.2 Depositor-Supplied Synonyms

1. 34831-03-3

2.3 Create Date

2014-05-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₇NNiO₆
Molecular Weight	247.82 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	246.962679 g/mol
Monoisotopic Mass	246.962679 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Nickel Nitrilotriacetic Acid