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

• ChemBase ID: 160123
• Molecular Formular: C4H10N2O2
• Molecular Mass: 118.1344
• Monoisotopic Mass: 118.07422757
• SMILES: NCCNCC(=O)O
• Canonical SMILES: NCCNCC(=O)O
• InChI: InChI=1S/C4H10N2O2/c5-1-2-6-3-4(7)8/h6H,1-3,5H2,(H,7,8)
• InChIKey: PIINGYXNCHTJTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-aminoethyl)amino]acetic acid
• IUPAC Traditional name: [(2-aminoethyl)amino]acetic acid
• Synonyms: AEGEthylenediamine-N-acetic Acid; N-(2-Aminoethyl)glycine; 2-((2-AMinoethyl)aMino)acetic acid

Database IDs

• CAS Number: 24123-14-6
• PubChem SID: 162254258
• PubChem CID: 428913

CALCULATED PROPERTIES

• Acid pKa: 2.168573
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.604681
• LogD (pH = 7.4): -4.1374755
• Log P: -3.9699306
• Molar Refractivity: 28.7278 cm^3
• Polarizability: 11.706662 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: White Solid
• Melting Point: 140-143°C

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 97%