3-methoxypyridin-2-amine

• ChemBase ID: 67264
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(c(cccn1)OC)N
• Canonical SMILES: COc1cccnc1N
• InChI: InChI=1S/C6H8N2O/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
• InChIKey: HNAYRVKSWGSQTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypyridin-2-amine
• IUPAC Traditional name: 3-methoxypyridin-2-amine
• Synonyms: 3-methoxypyridin-2-amine; 2-Amino-3-methoxypyridine; 3-Methoxypyridin-2-amine

Database IDs

• CAS Number: 10201-71-5
• MDL Number: MFCD07374874
• PubChem SID: 162033000
• PubChem CID: 9920384

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5936356
• LogD (pH = 7.4): 0.30722114
• Log P: 0.3634337
• Molar Refractivity: 35.3782 cm^3
• Polarizability: 13.092674 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 0.942

Safety Information

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

Product Information

• Purity: 95%; 95+%; 98%