benzyl[2-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 297457
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1ccc(cc1)CNCCc1ccccn1
• Canonical SMILES: c1ccc(cc1)CNCCc1ccccn1
• InChI: InChI=1S/C14H16N2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2
• InChIKey: WUDUNBALAGWKQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: benzyl[2-(pyridin-2-yl)ethyl]amine
• Synonyms: N-Benzyl-2-pyridineethylamine; N-苄基-2-吡啶乙胺

Database IDs

• CAS Number: 6312-25-0
• MDL Number: MFCD00089263
• PubChem SID: 180682988
• PubChem CID: 238354

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.835069
• LogD (pH = 7.4): 0.22724195
• Log P: 2.35688
• Molar Refractivity: 65.9389 cm^3
• Polarizability: 26.05596 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A