disodium 2-[(carboxylatomethyl)(carboxymethyl)amino]acetate

• ChemBase ID: 102983
• Molecular Formular: C6H7NNa2O6
• Molecular Mass: 235.10242
• Monoisotopic Mass: 235.00687551
• SMILES: [Na+].[Na+].OC(=O)CN(CC(=O)[O-])CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)O)CC(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C6H9NO6.2Na/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;2*+1/p-2
• InChIKey: RHPXYIKALIRNFA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-[(carboxylatomethyl)(carboxymethyl)amino]acetate
• IUPAC Traditional name: dipotassium C6H7NO6; disodium 2-[(carboxylatomethyl)(carboxymethyl)amino]acetate
• Synonyms: N,N-bis(Carboxymethyl)glycine; NTA; Triglycollamic acid; NITRILOTRIACETIC ACID DISODIUM SALT; Nitrilotriacetic acid disodium salt; N,N-双(羧甲基)甘氨酸; 氨三乙酸; 次氮基三乙酸 二钠盐

Database IDs

• CAS Number: 15467-20-6
• EC Number: 239-484-5
• MDL Number: MFCD00064230
• PubChem SID: 24897410; 162090293
• PubChem CID: 27301

CALCULATED PROPERTIES

• Acid pKa: 1.7801441
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -7.1725616
• LogD (pH = 7.4): -11.23058
• Log P: -2.0884216
• Molar Refractivity: 59.9161 cm^3
• Polarizability: 15.010503 Å^3
• Polar Surface Area: 120.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AJ0350000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• 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-H351
• GHS Precautionary statements: P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; 99%
• Grade: Sigma Grade

DETAILS

MP Biomedicals - 02150140

Disodium Salt
Purity: 99%
Crystalline
Chelating agent

Sigma Aldrich - N0128

Application
一种优质的螯合剂。
包装
50, 100 g in poly bottle
Warning
可能致癌。