4-[tris(4-aminophenyl)methyl]aniline

• ChemBase ID: 51433
• Molecular Formular: C25H24N4
• Molecular Mass: 380.48486
• Monoisotopic Mass: 380.20009679
• SMILES: C(c1ccc(cc1)N)(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)C(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
• InChI: InChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2
• InChIKey: LNHGLSRCOBIHNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[tris(4-aminophenyl)methyl]aniline
• IUPAC Traditional name: 4-[tris(4-aminophenyl)methyl]aniline
• Synonyms: Tetrakis(4-aminophenyl)methane

Database IDs

• MDL Number: MFCD12546930
• PubChem SID: 162056196
• PubChem CID: 11825069

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 3.5307474
• LogD (pH = 7.4): 3.6030493
• Log P: 3.60401
• Molar Refractivity: 123.8105 cm^3
• Polarizability: 45.49619 Å^3
• Polar Surface Area: 104.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%