[1-(triphenylmethyl)-1H-imidazol-4-yl]methanamine

• ChemBase ID: 811142
• Molecular Formular: C23H21N3
• Molecular Mass: 339.43294
• Monoisotopic Mass: 339.17354769
• SMILES: NCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: NCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H21N3/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16,24H2
• InChIKey: LSNOXFPGBSGJIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(triphenylmethyl)-1H-imidazol-4-yl]methanamine
• IUPAC Traditional name: [1-(triphenylmethyl)imidazol-4-yl]methanamine
• Synonyms: C-(1-TRITYL-1H-IMIDAZOL-4-YL)-METHYLAMINE

Database IDs

• CAS Number: 340179-89-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7298182
• LogD (pH = 7.4): 3.2856386
• Log P: 4.4426475
• Molar Refractivity: 106.9109 cm^3
• Polarizability: 41.132107 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%