cobalt(3+) ion bis(ethane-1,2-diamine) trichloride

• ChemBase ID: 126613
• Molecular Formular: C4H16Cl3CoN4
• Molecular Mass: 285.48884
• Monoisotopic Mass: 283.97724957
• SMILES: C(CN)N.C(CN)N.[Cl-].[Cl-].[Co+3].[Cl-]
• Canonical SMILES: NCCN.NCCN.[Cl-].[Cl-].[Cl-].[Co+3]
• InChI: InChI=1S/2C2H8N2.3ClH.Co/c2*3-1-2-4;;;;/h2*1-4H2;3*1H;/q;;;;;+3/p-3
• InChIKey: GVMSQWCTZLHSQH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion bis(ethane-1,2-diamine) trichloride
• IUPAC Traditional name: cobalt(3+) ion bis(ethylenediamine) trichloride
• Synonyms: Cis-Dichlorobis(ethylenediamine)cobalt(III) chloride

Database IDs

• CAS Number: 14040-32-5
• PubChem SID: 162220943
• PubChem CID: 166987; 407212
• Chemspider ID: 360279
• Wikipedia Title: Cis-Dichlorobis(ethylenediamine)cobalt(III)_chloride

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: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: good in water
• Apperance: violet solid
• Melting Point: dec.

Safety Information

• Risk Statements: R36/37/38
• Safety Statements: S26 S36