2-methoxypyridin-3-amine

• ChemBase ID: 15469
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1cnc(c(c1)N)OC
• Canonical SMILES: COc1ncccc1N
• InChI: InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3
• InChIKey: YXFAOWYMDGUFIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridin-3-amine
• IUPAC Traditional name: 2-methoxypyridin-3-amine
• Synonyms: 2-Methoxy-pyridin-3-ylamine; 3-Amino-2-methoxypyridine; 2-methoxypyridin-3-amine; 3-Amino-2-methoxypyridine 98%

Database IDs

• CAS Number: 20265-38-7
• MDL Number: MFCD00833386
• PubChem SID: 160978776
• PubChem CID: 2737488

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.36028486
• LogD (pH = 7.4): 0.3633939
• Log P: 0.3634337
• Molar Refractivity: 35.3782 cm^3
• Polarizability: 13.095825 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C; 51-54°C
• Partition Coefficient: 0.361
• Hydrophobicity(logP): 1.103

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%