N,N-dimethyl-4-(tributylstannyl)aniline

• ChemBase ID: 89601
• Molecular Formular: C20H37NSn
• Molecular Mass: 410.21548
• Monoisotopic Mass: 411.19479419
• SMILES: [Sn](c1ccc(cc1)N(C)C)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)N(C)C)(CCCC)CCCC
• InChI: InChI=1S/C8H10N.3C4H9.Sn/c1-9(2)8-6-4-3-5-7-8;3*1-3-4-2;/h4-7H,1-2H3;3*1,3-4H2,2H3
• InChIKey: NRIJBRZYITYLGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(tributylstannyl)aniline
• IUPAC Traditional name: N,N-dimethyl-4-(tributylstannyl)aniline
• Synonyms: [4-(Dimethylamino)phenyl]tributylstannane; N,N-Dimethyl-4-(tributylstannyl)aniline

Database IDs

• CAS Number: 84600-70-4
• PubChem SID: 162076474
• PubChem CID: 10927719

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.22438
• LogD (pH = 7.4): 5.392671
• Log P: 5.3953
• Molar Refractivity: 98.3186 cm^3
• Polarizability: 42.53562 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Toxic/Light Sensitive/Keep Cold