2-[(carboxymethyl)amino]acetic acid

• ChemBase ID: 103320
• Molecular Formular: C4H7NO4
• Molecular Mass: 133.10268
• Monoisotopic Mass: 133.03750771
• SMILES: OC(=O)CNCC(=O)O
• Canonical SMILES: OC(=O)CNCC(=O)O
• InChI: InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
• InChIKey: NBZBKCUXIYYUSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(carboxymethyl)amino]acetic acid
• IUPAC Traditional name: iminodiacetic acid
• Synonyms: Sodium iminodiacetate dibasic hydrate; Iminodiacetic acid disodium salt hydrate; IMINODIACETIC ACID; DIGLYCOLLAMIC ACID; Iminodiacetic acid; Diglycolamidic acid; 2,2'-azanediyldiacetic acid; 亚胺二乙酸二钠盐水合物; 亚氨基二乙酸

Database IDs

• CAS Number: 142-73-4; 17593-73-6
• EC Number: 205-555-4
• MDL Number: MFCD00004280; MFCD00150689
• Beilstein Number: 878499
• Merck Index: 144917
• PubChem SID: 24880393; 24853159; 24896075; 162091282
• PubChem CID: 8897
• CHEBI ID: 24786
• CHEMBL: 461164
• Chemspider ID: 8557
• KEGG ID: C19911
• MeSH Name: imnodiacetic+acid
• Wikipedia Title: Iminodiacetic_acid

CALCULATED PROPERTIES

• Acid pKa: 2.1223156
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -6.254279
• LogD (pH = 7.4): -7.205595
• Log P: -4.0680466
• Molar Refractivity: 26.8626 cm^3
• Polarizability: 10.896484 Å^3
• Polar Surface Area: 86.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless crystals; Crystalline
• Melting Point: 243 °C (dec.)(lit.); ca 243°C dec.
• Flash Point: 178 °C
• Density: 1.436 g mL^-1
• Partition Coefficient: 1.84
• pKa: 1.873
• pKb: 12.124
• Std enthalpy of combustion: -1.6430–-1.6406 MJ mol^-1
• Std enthalpy of formation: -933.9–-931.3 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AI2975000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; r36/37/38
• Safety Statements: 26-36; 26-37; s26, s36
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 315, 319, 335; H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (T); 97%; 98%; 98+%
• Grade: purum
• Linear Formula: HN(CH2COOH)2

DETAILS

MP Biomedicals - 05213015

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151317

Free Acid
Crystalline
Purity: 98%

Sigma Aldrich - 220000

Packaging
25, 500 g in poly bottle