4-(triphenylmethyl)aniline

• ChemBase ID: 110181
• Molecular Formular: C25H21N
• Molecular Mass: 335.44094
• Monoisotopic Mass: 335.16739968
• SMILES: Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2
• InChIKey: XYHDHXBLSLSXSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(triphenylmethyl)aniline
• IUPAC Traditional name: 4-(triphenylmethyl)aniline
• Synonyms: 4-Aminotetraphenylmethane; 4-Triphenylmethylaniline; 4-Tritylaniline; p-AMINOTETRAPHENYLMETHANE; 4-Tritylaniline; 4-三苯代甲基苯胺; 4-三苯代甲基苯胺; 4-三甲基苯胺

Database IDs

• CAS Number: 22948-06-7
• EC Number: 245-346-5
• MDL Number: MFCD00007898
• Beilstein Number: 2750328
• PubChem SID: 24849818; 162096425
• PubChem CID: 89914

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.071984
• LogD (pH = 7.4): 6.090546
• Log P: 6.090788
• Molar Refractivity: 109.7093 cm^3
• Polarizability: 42.1801 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 255-257 °C(lit.); 256-260°C

Safety Information

• RTECS: CY1220000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (C6H5)3CC6H4NH2

DETAILS

MP Biomedicals - 05214040

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 159506

Packaging
5 g in glass bottle

REFERENCES

• Phosphate monoesters can be protected as their lipid-soluble phosphoramidates by DCC-coupling with 4-tritylaniline: J. Am. Chem. Soc., 93, 2754 (1971).