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

• ChemBase ID: 303122
• Molecular Formular: C6H24Cl3CrN6
• Molecular Mass: 338.65006
• Monoisotopic Mass: 337.05331034
• SMILES: C(CN)N.C(CN)N.C(CN)N.[Cl-].[Cl-].[Cl-].[Cr+3]
• Canonical SMILES: NCCN.NCCN.NCCN.[Cl-].[Cl-].[Cl-].[Cr+3]
• InChI: InChI=1S/3C2H8N2.3ClH.Cr/c3*3-1-2-4;;;;/h3*1-4H2;3*1H;/q;;;;;;+3/p-3
• InChIKey: LIUCHLNHBFTPDJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion tris(ethane-1,2-diamine) trichloride
• IUPAC Traditional name: chromium(3+) ion tris(ethylenediamine) trichloride
• Synonyms: Trichlorotris(ethylenediamine)chromium(III); Tris(ethylenediamine)chromium(III) chloride hemiheptahydrate; 三(乙二胺)氯化铬(III) 3.5结晶水

Database IDs

• CAS Number: 16165-32-5
• MDL Number: MFCD00150160

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

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38-43
• Safety Statements: 24-26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H317-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A