N-(2-Carboxyethyl)iminodiacetic acid

• CAS: 6245-75-6
• Catalog Number: ACM6245756
• Category: Other Products
• Molecular Weight: 205.17
• Molecular Formula: C7H11NO6
• Synonyms: N,N-Bis(carboxymethyl)-beta-alanine
• IUPAC Name: 3-[Bis(carboxymethyl)amino]propanoic acid
• Canonical SMILES: C(CN(CC(=O)O)CC(=O)O)C(=O)O
• InChI: InChI=1S/C7H11NO6/c9-5(10)1-2-8(3-6(11)12)4-7(13)14/h1-4H2,(H,9,10)(H,11,12)(H,13,14)
• InChI Key: UWRBFYBQPCJRRL-UHFFFAOYSA-N
• Boiling Point: 495.8ºC at 760 mmHg
• Melting Point: 195 °C
• Flash Point: 253.7ºC
• Density: 1.517g/cm³
• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 228-360-6
• Exact Mass: 205.05863707
• H-Bond Acceptor: 7
• H-Bond Donor: 3
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 3
• Monoisotopic Mass: 205.05863707
• Physical State: Solid
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 115 Ų