disodium 2-[(carboxylatomethyl)amino]acetate hydrate

• ChemBase ID: 103321
• Molecular Formular: C4H7NNa2O5
• Molecular Mass: 195.08162
• Monoisotopic Mass: 195.01196089
• SMILES: O.[Na+].[Na+].[O-]C(=O)CNCC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CNCC(=O)[O-].O.[Na+].[Na+]
• InChI: InChI=1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2
• InChIKey: YSBGCHXLMBAKPV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-[(carboxylatomethyl)amino]acetate hydrate
• IUPAC Traditional name: disodium hydrate iminodiacetate; dipotassium 2-[(carboxylatomethyl)amino]acetate hydrate
• Synonyms: Iminodiacetic acid disodium salt hydrate; Sodium iminodiacetate dibasic hydrate; IMINODIACETIC ACID DISODIUM SALT, 20% SOLUTION; IMINODIACETIC ACID; Iminodiacetic acid disodium salt monohydrate; Sodium iminodiacetate dibasic monohydrate; 亚氨基二乙酸 二钠盐 水合物; 亚氨二乙酸钠 二元 水合物; 亚氨基二乙酸 二钠盐 一水合物; 亚氨基二乙酸二钠 一水合物

Database IDs

• CAS Number: 207398-95-6; 17593-73-6
• EC Number: 213-181-8
• MDL Number: MFCD00150689
• Beilstein Number: 3790611
• PubChem SID: 24896127; 24854061; 162090698; 24880402
• PubChem CID: 12520792

CALCULATED PROPERTIES

• Acid pKa: 2.1223156
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -6.254279
• LogD (pH = 7.4): -7.205595
• Log P: -4.0680466
• Molar Refractivity: 48.5368 cm^3
• Polarizability: 10.658736 Å^3
• Polar Surface Area: 92.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95%; ≥95.0% (T); 97%; 98%
• Linear Formula: C4H5NO4Na2 · xH2O; HN(CH2COONa)2 · H2O

DETAILS

MP Biomedicals - 05213774

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151318

Disodium Salt
Monohydrate
Crystalline
Purity: >95%
Inhibitor of bovine liver glutamate dehydrogenase.

Sigma Aldrich - 234877

Packaging
100, 500 g in glass bottle

Sigma Aldrich - 56790

Packaging
50, 250 g in poly bottle

REFERENCES

• J. Biol. Chem., 246: 2004, (1971).