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

• ChemBase ID: 295442
• Molecular Formular: C6H30Cl3CoN6O3
• Molecular Mass: 399.633
• Monoisotopic Mass: 398.07769189
• SMILES: C(CN)N.C(CN)N.C(CN)N.O.O.O.[Cl-].[Cl-].[Cl-].[Co+3]
• Canonical SMILES: NCCN.NCCN.NCCN.O.O.O.[Cl-].[Cl-].[Cl-].[Co+3]
• InChI: InChI=1S/3C2H8N2.3ClH.Co.3H2O/c3*3-1-2-4;;;;;;;/h3*1-4H2;3*1H;;3*1H2/q;;;;;;+3;;;/p-3
• InChIKey: WBMVTRUQSMZIKW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion tris(ethane-1,2-diamine) trihydrate trichloride
• IUPAC Traditional name: cobalt(3+) ion tris(ethylenediamine) trihydrate trichloride
• Synonyms: Tris(ethylenediamine)cobalt(III) chloride trihydrate; 三(乙二胺)氯化钴(III) 三水合物

Database IDs

• CAS Number: 14883-80-8
• MDL Number: MFCD00211318
• PubChem SID: 180680973
• PubChem CID: 73995044

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: X
• Risk Statements: 40-43
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A