butyl(hydroxy)stannanone hydrate

• ChemBase ID: 149601
• Molecular Formular: C4H12O3Sn
• Molecular Mass: 226.83728
• Monoisotopic Mass: 227.98083824
• SMILES: CCCC[Sn](=O)O.O
• Canonical SMILES: CCCC[Sn](=O)O.O
• InChI: InChI=1S/C4H9.2H2O.O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;2*1H2;;/q;;;;+1/p-1
• InChIKey: KBNBFLVBJDYEFE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(hydroxy)stannanone hydrate
• IUPAC Traditional name: stannane, butylhydroxyoxo- hydrate
• Synonyms: Butylhydroxyoxostannane; Butyltin hydroxide oxide hydrate; 丁基羟基氧基锡; 丁基锡酸 水合物

Database IDs

• CAS Number: 336879-56-2
• MDL Number: MFCD03424122
• PubChem SID: 162243764; 24861279
• PubChem CID: 16212264

CALCULATED PROPERTIES

• Acid pKa: 3.0
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4552774
• LogD (pH = 7.4): -2.649555
• Log P: -0.3889
• Molar Refractivity: 23.7438 cm^3
• Polarizability: 14.227984 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)3Sn(=O)OH·xH2O

DETAILS

Sigma Aldrich - 344931

Packaging
100 g in poly bottle