dicobalt(2+) ion 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate

• ChemBase ID: 109686
• Molecular Formular: C10H12Co2N2O8
• Molecular Mass: 406.07728
• Monoisotopic Mass: 405.92575535
• SMILES: [Co+2].[Co+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Co+2].[Co+2]
• InChI: InChI=1S/C10H16N2O8.2Co/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+2/p-4
• InChIKey: TWAWHTJKASJPEK-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dicobalt(2+) ion 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate; bis(λ^2-cobalt(2+) ion) 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate
• IUPAC Traditional name: dicobalt(2+) ion(4-) edta; bis(λ^2-cobalt(2+) ion) ion(4-) edta
• Synonyms: EDTA, DISODIUM COBALTOUS SALT; Kelocyanor; Dicobalt edetate

Database IDs

• CAS Number: 24704-41-4; 36499-65-7
• PubChem SID: 162096343
• PubChem CID: 71942
• Chemspider ID: 64951
• Wikipedia Title: Dicobalt_edetate

CALCULATED PROPERTIES

• Acid pKa: 1.486185
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• Molar Refractivity: 105.694 cm^3
• Polarizability: 24.221308 Å^3
• Polar Surface Area: 167.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AH4200000

DETAILS

MP Biomedicals - 05212205

MP Biomedicals Rare Chemical collection