cobalt(2+) ion 2-{[(2-{[(2-oxidophenyl)methylidene]amino}ethyl)imino]methyl}benzen-1-olate

• ChemBase ID: 109939
• Molecular Formular: C16H14CoN2O2
• Molecular Mass: 325.22776
• Monoisotopic Mass: 325.0387227
• SMILES: [Co+2].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
• Canonical SMILES: [O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[Co+2]
• InChI: InChI=1S/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2
• InChIKey: NPAQSKHBTMUERN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion 2-{[(2-{[(2-oxidophenyl)methylidene]amino}ethyl)imino]methyl}benzen-1-olate; λ^2-cobalt(2+) ion 2-[(1E)-({2-[(E)-[(2-oxidophenyl)methylidene]amino]ethyl}imino)methyl]benzen-1-olate
• IUPAC Traditional name: cobalt(2+) 2-{[(2-{[(2-oxidophenyl)methylidene]amino}ethyl)imino]methyl}benzenolate; λ^2-cobalt(2+) ion 2-[(1E)-({2-[(E)-[(2-oxidophenyl)methylidene]amino]ethyl}imino)methyl]benzenolate
• Synonyms: N,N-bis(SALICYLIDENE)ETHYLENEDIIMINOCOBALT (II); Salcomine; N,N'-Bis(salicylidene)ethylenediaminecobalt(II); N,N'-二水杨醛缩乙二胺钴(II)

Database IDs

• CAS Number: 14167-18-1
• EC Number: 238-012-5
• MDL Number: MFCD00000009
• PubChem SID: 162095373
• PubChem CID: 26517

CALCULATED PROPERTIES

• Acid pKa: 8.584891
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4199345
• LogD (pH = 7.4): 3.019816
• Log P: 3.065516
• Molar Refractivity: 102.285 cm^3
• Polarizability: 29.40244 Å^3
• Polar Surface Area: 70.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• RTECS: GG0590000
• European Hazard Symbols: X; Harmful (Xn)
• Risk Statements: 20/22-43; R:40-42/43-68
• Safety Statements: 24-36/37; S:22-29-36/37/39-46-53
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332-H317
• GHS Precautionary statements: P280H-P262-P308+P313

Product Information

• Purity: 96%

DETAILS

MP Biomedicals - 05213085

MP Biomedicals Rare Chemical collection