chlorodioxorhenium; bis(ethane-1,2-diamine)

• ChemBase ID: 134521
• Molecular Formular: C4H16ClN4O2Re
• Molecular Mass: 373.85544
• Monoisotopic Mass: 374.05193145
• SMILES: C(CN)N.C(CN)N.O=[Re](=O)Cl
• Canonical SMILES: Cl[Re](=O)=O.NCCN.NCCN
• InChI: InChI=1S/2C2H8N2.ClH.2O.Re/c2*3-1-2-4;;;;/h2*1-4H2;1H;;;/q;;;;;+1/p-1
• InChIKey: MJPLRWJGVRNXRM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodioxorhenium; bis(ethane-1,2-diamine)
• IUPAC Traditional name: chlorodioxorhenium; bis(ethylenediamine)
• Synonyms: Bis(ethylenediamine)dioxorhenium(V) chloride; 双(乙二胺)二氧代氯化铼(V)

Database IDs

• CAS Number: 14587-92-9
• MDL Number: MFCD05865168
• PubChem SID: 162228797
• PubChem CID: 71308807

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

• Apperance: powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.8% trace metals basis
• Empirical Formula (Hill Notation): C4H16ClN4O2Re