N-benzylpyridin-4-amine

• ChemBase ID: 262798
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: n1ccc(NCc2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)CNc1ccncc1
• InChI: InChI=1S/C12H12N2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-9H,10H2,(H,13,14)
• InChIKey: LCUREJHJUJCKQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylpyridin-4-amine
• IUPAC Traditional name: N-benzylpyridin-4-amine
• Synonyms: N-benzylpyridin-4-amine

Database IDs

• MDL Number: MFCD00466069
• PubChem SID: 164318708
• PubChem CID: 776251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96941423
• LogD (pH = 7.4): 1.0926626
• Log P: 1.9528246
• Molar Refractivity: 58.7075 cm^3
• Polarizability: 22.033411 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.564

Product Information

• Purity: 95%