cobalt(2+) ion bis(2-aminoacetate)

• ChemBase ID: 110157
• Molecular Formular: C4H8CoN2O4
• Molecular Mass: 207.05052
• Monoisotopic Mass: 206.98160175
• SMILES: [Co+2].NCC(=O)[O-].NCC(=O)[O-]
• Canonical SMILES: NCC(=O)[O-].NCC(=O)[O-].[Co+2]
• InChI: InChI=1S/2C2H5NO2.Co/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2
• InChIKey: XCTITUGPTCDTON-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion bis(2-aminoacetate)
• IUPAC Traditional name: cobalt(2+) diglycinate
• Synonyms: COBALT GLYCINE

Database IDs

• CAS Number: 68201-98-9
• PubChem SID: 162095930
• PubChem CID: 9813116

CALCULATED PROPERTIES

• Acid pKa: 2.307457
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4094565
• LogD (pH = 7.4): -3.4150424
• Log P: -3.4094596
• Molar Refractivity: 26.8405 cm^3
• Polarizability: 6.4318523 Å^3
• Polar Surface Area: 66.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213944

MP Biomedicals Rare Chemical collection