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

• ChemBase ID: 102842
• Molecular Formular: C10H12N2Na4O8
• Molecular Mass: 380.16996
• Monoisotopic Mass: 380.01844248
• SMILES: [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-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C10H16N2O8.4Na/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);;;;/q;4*+1/p-4
• InChIKey: UEUXEKPTXMALOB-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate
• IUPAC Traditional name: tetrapotassium ion(4-) edta; tetrasodium ion(4-) edta
• Synonyms: Versene; Edathamil; EDTA tetrasodium salt; Tetrasodium ethylenediaminetetraacetate hydrate; ETHYLENEDIAMINE TETRAACETIC ACID TETRASODIUM SALT HYDRATE; EDTA tetrasodium salt hydrate; Ethylenediaminetetraacetic acid tetrasodium salt hydrate; EDTA tetrasodium; 乙二胺四乙酸四钠盐水合物

Database IDs

• CAS Number: 194491-31-1; 64-02-8; 67401-50-7
• EC Number: 200-573-9
• MDL Number: MFCD00150025
• Beilstein Number: 3828865
• PubChem SID: 162089079
• PubChem CID: 6144

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; >300°C
• 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; AH5075000
• European Hazard Symbols: Nature polluting (N); X; Irritant (Xi)
• UN Number: 3077
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22-41; R:36/37/38-58
• Safety Statements: 26-39-46; S:20-25-26-29-29-37/39-61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Hazard statements: H301-H318
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P321-P405-P501A

Product Information

• Purity: 95+%; 98%; 99%

DETAILS

MP Biomedicals - 02103248

Purity: 99%
Tetrasodium Salt
Suitable for use as a standard.
Crystalline

REFERENCES

• Complexing agent for many cations.