dichloronickel bis(ethane-1,2-diamine) hydrate

• ChemBase ID: 134522
• Molecular Formular: C4H18Cl2N4NiO
• Molecular Mass: 267.81132
• Monoisotopic Mass: 266.02110948
• SMILES: C(CN)N.C(CN)N.O.Cl[Ni]Cl
• Canonical SMILES: NCCN.NCCN.Cl[Ni]Cl.O
• InChI: InChI=1S/2C2H8N2.2ClH.Ni.H2O/c2*3-1-2-4;;;;/h2*1-4H2;2*1H;;1H2/q;;;;+2;/p-2
• InChIKey: JCYYALJEEILBFR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloronickel bis(ethane-1,2-diamine) hydrate
• IUPAC Traditional name: bis(ethylenediamine) nickel chloride hydrate
• Synonyms: Bis(ethylenediamine)nickel(II) chloride hydrate; 双(乙二胺)氯化镍(II) 水合物

Database IDs

• MDL Number: MFCD04039933
• PubChem SID: 162228798; 24880761
• PubChem CID: 16217288

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: solid
• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-42/43
• Safety Statements: 36/37/39-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H334-H350
• GHS Precautionary statements: P201-P261-P280-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: 99.999% trace metals basis
• Empirical Formula (Hill Notation): C4H16Cl2N4Ni · xH2O