tetracyclohexylstannane

• ChemBase ID: 303072
• Molecular Formular: C24H44Sn
• Molecular Mass: 451.30716
• Monoisotopic Mass: 452.24649541
• SMILES: C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/4C6H11.Sn/c4*1-2-4-6-5-3-1;/h4*1H,2-6H2
• InChIKey: JUISPCSEIXBMNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetracyclohexylstannane
• IUPAC Traditional name: tetracyclohexylstannane
• Synonyms: Tetracyclohexylstannane; Tetracyclohexyltin; 四环己基锡

Database IDs

• CAS Number: 1449-55-4
• EC Number: 215-910-5
• MDL Number: MFCD00014278

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.0024
• LogD (pH = 7.4): 9.0024
• Log P: 9.0024
• Molar Refractivity: 106.6468 cm^3
• Polarizability: 47.299202 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 241-250°C

Safety Information

• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3146
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-50/53
• Safety Statements: 26-28-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H331-H302-H312-H400-H410
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A