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

• ChemBase ID: 144960
• Molecular Formular: C4H18CuN4O2
• Molecular Mass: 217.75732
• Monoisotopic Mass: 217.07257334
• SMILES: C(CN)N.C(CN)N.O[Cu]O
• Canonical SMILES: NCCN.NCCN.O[Cu]O
• InChI: InChI=1S/2C2H8N2.Cu.2H2O/c2*3-1-2-4;;;/h2*1-4H2;;2*1H2/q;;+2;;/p-2
• InChIKey: WATCRQGYOIZIHC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copperdiol; bis(ethane-1,2-diamine)
• IUPAC Traditional name: copperdiol; bis(ethylenediamine)
• Synonyms: Copper(II)-ethylenediame complex; Bis(ethylenediamine)copper(II) hydroxide solution; 亚乙基二胺铜络合物; 双氢氧化乙二胺铜(II) 溶液

Database IDs

• CAS Number: 14552-35-3
• MDL Number: MFCD00274628
• PubChem SID: 24867790; 162239172
• PubChem CID: 16212881

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

• Density: 1.086 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1761
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1761 8/PG 2

Product Information

• Concentration: 1.0 M in H2O
• Linear Formula: Cu(H2NCH2CH2NH2)2(OH)2

DETAILS

Sigma Aldrich - 442305

Packaging
1 L in glass bottle