2-[(2-hydroxyethyl)amino]acetic acid

• ChemBase ID: 170566
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: OCCNCC(=O)O
• Canonical SMILES: OCCNCC(=O)O
• InChI: InChI=1S/C4H9NO3/c6-2-1-5-3-4(7)8/h5-6H,1-3H2,(H,7,8)
• InChIKey: FOUZISDNESEYLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-hydroxyethyl)amino]acetic acid
• IUPAC Traditional name: [(2-hydroxyethyl)amino]acetic acid
• Synonyms: 2-[(2-hydroxyethyl)amino]acetic acid; N-(2-Hydroxyethyl)aminoacetic Acid; NSC 15828; Petalonine; N-(2-Hydroxyethyl)glycine (~90%)

Database IDs

• CAS Number: 5835-28-9
• MDL Number: MFCD00082194
• PubChem SID: 164226476
• PubChem CID: 225935

CALCULATED PROPERTIES

• Acid pKa: 1.8229078
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8762355
• LogD (pH = 7.4): -3.8776727
• Log P: -3.8762255
• Molar Refractivity: 27.0703 cm^3
• Polarizability: 10.868561 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Off-White Solid
• Melting Point: >140°C (dec.); 184 - 186°C
• Hydrophobicity(logP): -3.116

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 95%