6-phenylpyridin-3-amine

• ChemBase ID: 41518
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: n1c(c2ccccc2)ccc(c1)N
• Canonical SMILES: Nc1ccc(nc1)c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,12H2
• InChIKey: FLIQYTXJLWGVBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylpyridin-3-amine
• IUPAC Traditional name: 6-phenylpyridin-3-amine
• Synonyms: 6-phenylpyrid-3-ylamine; 6-Phenyl-3-pyridinamine; 6-Phenylpyridin-3-amine; 3-Amino-6-phenylpyridine

Database IDs

• CAS Number: 126370-67-0; 126370-67-6
• MDL Number: MFCD04114197
• PubChem SID: 162046281
• PubChem CID: 2762877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8857645
• LogD (pH = 7.4): 1.9587024
• Log P: 1.9597231
• Molar Refractivity: 53.3657 cm^3
• Polarizability: 21.623377 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106 °C; 104-106°C

Safety Information

• Storage Warning: Harmful/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: > 95%; >95%; 97%; 98%