2-phenylpyridin-4-amine

• ChemBase ID: 70906
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1(cc(ccn1)N)c1ccccc1
• Canonical SMILES: Nc1ccnc(c1)c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
• InChIKey: CHVKPWIABFICLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyridin-4-amine
• IUPAC Traditional name: 2-phenylpyridin-4-amine
• Synonyms: 4-Amino-2-phenylpyridine; 2-phenylpyridin-4-amine

Database IDs

• CAS Number: 21203-86-1
• MDL Number: MFCD01646280
• PubChem SID: 162036614
• PubChem CID: 2762833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5268721
• LogD (pH = 7.4): 1.1151978
• Log P: 1.9597231
• Molar Refractivity: 53.3657 cm^3
• Polarizability: 21.622677 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 2.416

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%