tetraphenylboranuide; trimethylazanium

• ChemBase ID: 137630
• Molecular Formular: C27H30BN
• Molecular Mass: 379.3448
• Monoisotopic Mass: 379.24713037
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)C
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)C
• InChI: InChI=1S/C24H20B.C3H9N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4(2)3/h1-20H;1-3H3/q-1;/p+1
• InChIKey: HHBWPCWFGJXCHW-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylboranuide; trimethylazanium
• IUPAC Traditional name: trimethylammonium tetraphenylborate
• Synonyms: Trimethylammonium tetraphenylborate; 三甲基四苯基硼酸铵

Database IDs

• CAS Number: 51016-92-3
• MDL Number: MFCD00013145
• PubChem SID: 162231892
• PubChem CID: 15241873

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9088
• LogD (pH = 7.4): 5.9088
• Log P: 5.9088
• Molar Refractivity: 101.8972 cm^3
• Polarizability: 41.872147 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C27H30BN