tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate dihydrate

• ChemBase ID: 105396
• Molecular Formular: C10H16N2Na4O10
• Molecular Mass: 416.20052
• Monoisotopic Mass: 416.03957185
• SMILES: O.O.[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C10H16N2O8.4Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;2*1H2/q;4*+1;;/p-4
• InChIKey: KSYNLCYTMRMCGG-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate dihydrate
• IUPAC Traditional name: tetrapotassium ion(4-) edta dihydrate
• Synonyms: EDTA-Na₄; ETHYLENEDIAMINE TETRAACETIC ACID TETRASODIUM SALT HYDRATE; Versene; EDTA, TETRASODIUM SALT DIHYDRATE

Database IDs

• CAS Number: 67401-50-7
• EC Number: 200-449-4
• PubChem SID: 162092686
• PubChem CID: 21917311

CALCULATED PROPERTIES

• Acid pKa: 1.486185
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• Molar Refractivity: 105.694 cm^3
• Polarizability: 24.221308 Å^3
• Polar Surface Area: 167.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: > 300 °C with decomposition
• Flash Point: > 100 °C (closed cup and DIN 51758)
• Auto Ignition Point: > 200 °C (DIN 51794)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AH4025000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:36/37/38-58
• Safety Statements: S:20-25-26-29-29-37/39-61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171

Product Information

• Purity: 90-95%; 99%

DETAILS

MP Biomedicals - 02194660

Cell Culture Reagent
Purity: 99%
Tetrasodium Salt

MP Biomedicals - 05205218

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02160054

Tetrasodium Salt
Purity: 90-95%