trisodium 2-[bis(carboxylatomethyl)amino]acetate

• ChemBase ID: 110786
• Molecular Formular: C6H6NNa3O6
• Molecular Mass: 257.08425
• Monoisotopic Mass: 256.98881976
• SMILES: [Na+].[Na+].[Na+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C6H9NO6.3Na/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;3*+1/p-3
• InChIKey: DZCAZXAJPZCSCU-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium 2-[bis(carboxylatomethyl)amino]acetate
• IUPAC Traditional name: trisodium nitrilotriacetate; tripotassium nitrilotriacetate
• Synonyms: NTA; Nitrilotriacetic acid trisodium salt; NITRILOTRIACETIC ACID TRISODIUM SALT TECHNICAL GRADE; N,N-双(羧甲基)甘氨酸; 氨三乙酸; 次氮基三乙酸 三钠盐

Database IDs

• CAS Number: 5064-31-3
• EC Number: 225-768-6
• MDL Number: MFCD00064231
• PubChem SID: 24897415; 162096494
• PubChem CID: 21152

CALCULATED PROPERTIES

• Acid pKa: 1.7801441
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -7.1725616
• LogD (pH = 7.4): -11.23058
• Log P: -2.0884216
• Molar Refractivity: 70.7532 cm^3
• Polarizability: 14.891299 Å^3
• Polar Surface Area: 123.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: MB8400000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-40; R:22
• Safety Statements: 36; S:36/37/39
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H351
• GHS Precautionary statements: P281-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥98%
• Grade: Sigma Grade; TECHNICAL

DETAILS

MP Biomedicals - 05216311

MP Biomedicals Rare Chemical collection

Sigma Aldrich - N0253

Application
一种优质的螯合剂。
包装
1 kg in glass bottle
250 g in glass bottle
Warning
可能致癌。