2-[(carboxymethyl)(methyl)amino]acetic acid

• ChemBase ID: 107084
• Molecular Formular: C5H9NO4
• Molecular Mass: 147.12926
• Monoisotopic Mass: 147.05315777
• SMILES: CN(CC(=O)O)CC(=O)O
• Canonical SMILES: CN(CC(=O)O)CC(=O)O
• InChI: InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
• InChIKey: XWSGEVNYFYKXCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(carboxymethyl)(methyl)amino]acetic acid
• IUPAC Traditional name: [(carboxymethyl)(methyl)amino]acetic acid
• Synonyms: METHYLIMINODIACETIC ACID; MIDA; MIDA ligand; Methyliminodiacetic acid; N-Methyliminodiacetic acid; MIDA 配体; 甲基亚氨二乙酸; N-甲基亚氨基二乙酸

Database IDs

• CAS Number: 4408-64-4
• EC Number: 224-557-6
• MDL Number: MFCD00004284
• Beilstein Number: 1765449
• PubChem SID: 24896977; 162092998
• PubChem CID: 20441

CALCULATED PROPERTIES

• Acid pKa: 2.343162
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -5.7701545
• LogD (pH = 7.4): -7.0692096
• Log P: -3.6865225
• Molar Refractivity: 32.1573 cm^3
• Polarizability: 12.69048 Å^3
• Polar Surface Area: 77.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 °C (dec.)(lit.); ca 220°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: 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: 99%
• Linear Formula: CH3N(CH2CO2H)2

DETAILS

MP Biomedicals - 05202482

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M51008

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
5, 25 g in glass bottle
Protocols & Applications
Suzuki Cross-Coupling with MIDA Boronates