benzyl(pyridin-2-ylmethyl)amine

• ChemBase ID: 13205
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: c1cccc(c1)CNCc1ncccc1
• Canonical SMILES: c1ccc(cc1)CNCc1ccccn1
• InChI: InChI=1S/C13H14N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-9,14H,10-11H2
• InChIKey: RRLRWANEZGPBAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: benzyl(pyridin-2-ylmethyl)amine
• Synonyms: Benzyl-pyridin-2-ylmethyl-amine

Database IDs

• CAS Number: 18081-89-5
• MDL Number: MFCD03425010
• PubChem SID: 160976512
• PubChem CID: 795879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.23374918
• LogD (pH = 7.4): 1.4920173
• Log P: 2.1198673
• Molar Refractivity: 61.2395 cm^3
• Polarizability: 24.28708 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false