4-(tributylstannyl)aniline

• ChemBase ID: 89598
• Molecular Formular: C18H33NSn
• Molecular Mass: 382.16232
• Monoisotopic Mass: 383.16349406
• SMILES: [Sn](c1ccc(cc1)N)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)N)(CCCC)CCCC
• InChI: InChI=1S/C6H6N.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,7H2;3*1,3-4H2,2H3
• InChIKey: FMDJOKUDYCJLGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)aniline
• IUPAC Traditional name: 4-(tributylstannyl)aniline
• Synonyms: (4-Aminophenyl)tributylstannane; 4-(Tributylstannyl)aniline

Database IDs

• CAS Number: 191980-51-5
• PubChem SID: 162076471
• PubChem CID: 9886237

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.30079
• LogD (pH = 7.4): 4.347077
• Log P: 4.3477
• Molar Refractivity: 88.5904 cm^3
• Polarizability: 38.86375 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 172°C/0.08mm

Safety Information

• Storage Warning: Toxic/Light Sensitive/Keep Cold