5-methoxypyridin-2-amine

• ChemBase ID: 67804
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(ccc(cn1)OC)N
• Canonical SMILES: COc1ccc(nc1)N
• InChI: InChI=1S/C6H8N2O/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
• InChIKey: XJKJHILCYUUVSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypyridin-2-amine
• IUPAC Traditional name: 5-methoxypyridin-2-amine
• Synonyms: 5-Methoxy-pyridin-2-ylamine; 2-Amino-5-methoxypyridine; 5-Methoxypyridin-2-amine

Database IDs

• CAS Number: 10167-97-2
• MDL Number: MFCD07374873
• PubChem SID: 162033539
• PubChem CID: 11320934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3143005
• LogD (pH = 7.4): 0.34056833
• Log P: 0.3634337
• Molar Refractivity: 35.3782 cm^3
• Polarizability: 13.0909605 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Dark Red Oil
• Boiling Point: 128-130°C/10mm; 128-130°C/10Torr

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• Storage Warning: Harmful/Irritant/Store at -20°C/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%