5-phenylpyridin-2-amine

• ChemBase ID: 10299
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1ccc(cc1)c1cnc(cc1)N
• Canonical SMILES: Nc1ccc(cn1)c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
• InChIKey: OAPVIBHQRYFYSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenylpyridin-2-amine
• IUPAC Traditional name: 5-phenylpyridin-2-amine
• Synonyms: Phe-P-1; 5-Phenyl-2-pyridinamine; 5-Phenylpyridin-2-ylamine; 2-Amino-5-phenylpyridine; 5-phenylpyridin-2-amine; 2-Amino-5-phenylpyridine; 2-氨基-5-苯基吡啶

Database IDs

• CAS Number: 33421-40-8
• MDL Number: MFCD01692452
• PubChem SID: 160973606
• PubChem CID: 105097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3609896
• LogD (pH = 7.4): 2.1336884
• Log P: 2.1683304
• Molar Refractivity: 54.0512 cm^3
• Polarizability: 21.620897 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: CHloroform; DMF; DMSO; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 132-133°C; 133-137°C; 134-136°C; 136 - 138°C
• Hydrophobicity(logP): 2.206

Safety Information

• Storage Condition: -20°C Freezer
• RTECS: US2145000
• European Hazard Symbols: X
• Risk Statements: 36/37/38-40
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95%; 97%; 98%

DETAILS

Toronto Research Chemicals - A626745

A product from the pyrolysis of phenylalanine.

REFERENCES

• Kim, D., et al.: Bioorg. Med. Chem. Lett., 15, 2129 (2005)
• Che, W., et al.: Env. Toxicol. Pharmacol., 24, 11 (2005)
• Heitman, L., et al.: J. Med. Chem., 51, 4724 (2005)