4-(pyridin-2-ylmethyl)aniline

• ChemBase ID: 306424
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: n1c(Cc2ccc(N)cc2)cccc1
• Canonical SMILES: Nc1ccc(cc1)Cc1ccccn1
• InChI: InChI=1S/C12H12N2/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9,13H2
• InChIKey: UTLDQPSPINRRLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-ylmethyl)aniline
• IUPAC Traditional name: 4-(pyridin-2-ylmethyl)aniline
• Synonyms: 4-(pyridin-2-ylmethyl)aniline

Database IDs

• CAS Number: 58498-12-7
• MDL Number: MFCD05664579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7832218
• LogD (pH = 7.4): 1.8908412
• Log P: 1.8923575
• Molar Refractivity: 57.9149 cm^3
• Polarizability: 21.958153 Å^3
• Polar Surface Area: 38.91 Å^2