cobalt(2+) ion tris(ethane-1,2-diamine) bis(nitrooxidane)

• ChemBase ID: 112155
• Molecular Formular: C6H24CoN8O6
• Molecular Mass: 363.23796
• Monoisotopic Mass: 363.11507553
• SMILES: [Co+2].NCCN.NCCN.NCCN.[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].NCCN.NCCN.NCCN.[Co+2]
• InChI: InChI=1S/3C2H8N2.Co.2NO3/c3*3-1-2-4;;2*2-1(3)4/h3*1-4H2;;;/q;;;+2;2*-1
• InChIKey: RFWHPHVYEAEOCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion tris(ethane-1,2-diamine) bis(nitrooxidane)
• IUPAC Traditional name: cobalt(2+) tris(ethylenediamine) dinitronate
• Synonyms: TRIETHYLENE DIAMINE COBALTINITRATE

Database IDs

• PubChem SID: 162106620
• PubChem CID: 25022247

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:16-20-26-46

DETAILS

MP Biomedicals - 05222756

MP Biomedicals Rare Chemical collection