Palladium cyclohexanediaminetetraacetic acid

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Basic information

CAS: 15679-95-5
Standard SMILES: O=C([O-])CN(CC(=O)[O-])C1CCCCC1N(CC(=O)[O-])CC(=O)[O-].[H+].[H+].[Pd+2]
InChIKey: TZWKQGUJYJPTMB-UHFFFAOYSA-L
Molecular formula: C14H20N2O8Pd
Average molar mass: 450.7 g/mol
Monoisotopic mass: 450.02545

Names & identifiers

Preferred name: Palladium cyclohexanediaminetetraacetic acid
IUPAC: 2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate;hydron;palladium(2+)

Names & synonyms

Palladium cyclohexanediaminetetraacetic acid15679-95-5Palladate(2-), ((N,N'-1,2-cyclohexanediylbis(N-(carboxymethyl)glycinato-kappaN,kappaO))(4-))-, dihydrogen, (SP-4-2)-RefChem:367828Palladate(2-), ((N,N'-1,2-cyclohexanediylbis(N-(carboxymethyl)glycinato-kappaN,kappaO))(4-))-, hydrogen (1:2), (SP-4-2)-

Database identifiers

CAS: 15679-95-5
PubChem CID: 85893

Properties

Computed structural properties

Topological polar surface area: 167 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 397

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPalladate(2-), [[N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)glycinato-.kappa.N,.kappa.O]](4-)]-, hydrogen (1:2), (SP-4-2)-: INACTIVE

Related reactions

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Compound notes

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