[3-(pyridin-2-yl)phenyl]methanamine

• ChemBase ID: 241902
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: c1(c2ncccc2)cc(CN)ccc1
• Canonical SMILES: NCc1cccc(c1)c1ccccn1
• InChI: InChI=1S/C12H12N2/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12/h1-8H,9,13H2
• InChIKey: XCGMBXPNSVFNGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(pyridin-2-yl)phenyl]methanamine
• IUPAC Traditional name: [3-(pyridin-2-yl)phenyl]methanamine
• Synonyms: [3-(pyridin-2-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD11932622
• PubChem SID: 164297812
• PubChem CID: 59151546

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0892904
• LogD (pH = 7.4): -0.04202618
• Log P: 1.9144175
• Molar Refractivity: 57.1387 cm^3
• Polarizability: 23.887217 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.695

Product Information

• Purity: 95%