3-(tributylstannyl)aniline

• ChemBase ID: 178928
• Molecular Formular: C18H33NSn
• Molecular Mass: 382.16232
• Monoisotopic Mass: 383.16349406
• SMILES: c1(cccc(c1)[Sn](CCCC)(CCCC)CCCC)N
• Canonical SMILES: CCCC[Sn](c1cccc(c1)N)(CCCC)CCCC
• InChI: InChI=1S/C6H6N.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-2,4-5H,7H2;3*1,3-4H2,2H3
• InChIKey: LOYGBPDRDCXDLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(tributylstannyl)aniline
• IUPAC Traditional name: 3-(tributylstannyl)aniline
• Synonyms: 3-(Tributylstannyl)benzenamine; 3-Tri-N-butylstannylaniline

Database IDs

• CAS Number: 124742-40-1
• PubChem SID: 164234838
• PubChem CID: 9907970

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.2950945
• LogD (pH = 7.4): 4.3469963
• Log P: 4.3477
• Molar Refractivity: 88.5904 cm^3
• Polarizability: 38.863712 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Yellow Oil