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

• ChemBase ID: 303596
• Molecular Formular: C26H60N6O8
• Molecular Mass: 584.79
• Monoisotopic Mass: 584.44726291
• SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Canonical SMILES: C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-]
• InChI: InChI=1S/C10H16N2O8.4C4H12N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;4*1-5(2,3)4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4*1-4H3/q;4*+1/p-4
• InChIKey: NXWWYFKWUDEAJH-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(tetramethylazanium) 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate
• IUPAC Traditional name: ion(4-) edta; tetrakis(tetramethylammonium)
• Synonyms: EDTA tetrakis(tetramethylammonium) salt; Tetrakis(tetramethylammonium) ethylenediaminetetraacetate; Ethylenediaminetetraacetic acid tetrakis(tetramethylammonium) salt; 乙二胺四乙酸四(四甲基铵)盐

Database IDs

• MDL Number: MFCD01632148

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: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 30% w/v aq. soln.