λ2-lead(2+) ion bis(4-cyclohexylbutanoate)

• ChemBase ID: 107995
• Molecular Formular: C20H34O4Pb
• Molecular Mass: 545.68156
• Monoisotopic Mass: 546.22236157
• SMILES: [Pb+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1
• Canonical SMILES: [O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1.[Pb+2]
• InChI: InChI=1S/2C10H18O2.Pb/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
• InChIKey: CCJZHCZMNGUOCA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-lead(2+) ion bis(4-cyclohexylbutanoate); $l^{2}-lead(2+) ion bis(4-cyclohexylbutanoate)
• IUPAC Traditional name: λ^2-lead(2+) ion bis(4-cyclohexylbutanoate); $l^{2}-lead(2+) ion bis(4-cyclohexylbutanoate)
• Synonyms: Cyclohexanebutyric acid lead(II) salt; 4-Cyclohexylbutyric acid lead(II) salt; Lead(II) cyclohexanebutyrate; LEAD CYCLOHEXANEBUTYRATE; 环己基丁酸铅(II)

Database IDs

• CAS Number: 62637-99-4
• EC Number: 263-663-7
• MDL Number: MFCD00036403
• PubChem SID: 162094388
• PubChem CID: 112896

CALCULATED PROPERTIES

• Acid pKa: 5.0541363
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3894231
• LogD (pH = 7.4): 0.6476406
• Log P: 2.9678953
• Molar Refractivity: 58.4601 cm^3
• Polarizability: 18.819902 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2291
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 61-62-20/22-33-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H360-H373-H400-H410-H302-H332
• GHS Precautionary statements: P260-P261-P281-P304+P340-P405-P501A

Product Information

• Purity: 94%

DETAILS

MP Biomedicals - 05205715

MP Biomedicals Rare Chemical collection