(pyridin-3-ylmethyl)(triphenylmethyl)amine

• ChemBase ID: 153906
• Molecular Formular: C25H22N2
• Molecular Mass: 350.45558
• Monoisotopic Mass: 350.17829871
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)NCc1cccnc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)NCc1cccnc1
• InChI: InChI=1S/C25H22N2/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-11-10-18-26-19-21/h1-19,27H,20H2
• InChIKey: PQFNWDHABGBCHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pyridin-3-ylmethyl)(triphenylmethyl)amine
• IUPAC Traditional name: (pyridin-3-ylmethyl)(triphenylmethyl)amine
• Synonyms: (3-Triphenylmethylaminomethyl)pyridine; UCL 2077

Database IDs

• CAS Number: 918311-87-2
• MDL Number: MFCD00585879
• PubChem SID: 162248045
• PubChem CID: 24868317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4077604
• LogD (pH = 7.4): 5.0663066
• Log P: 5.470877
• Molar Refractivity: 112.1993 cm^3
• Polarizability: 43.5634 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: soluble >20 mg/mL; H2O: insoluble <2 mg/mL
• Apperance: white solid

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C25H22N2

DETAILS

Sigma Aldrich - U6758

Biochem/physiol Actions
UCL 2077 is a slow afterhyperpolarization (sAHP) channel blocker.