2-methoxypyridin-4-amine

• ChemBase ID: 21446
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1c(nccc1N)OC
• Canonical SMILES: COc1cc(N)ccn1
• InChI: InChI=1S/C6H8N2O/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8)
• InChIKey: SVEQHRSELNPKJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridin-4-amine
• IUPAC Traditional name: 2-methoxypyridin-4-amine
• Synonyms: 2-Methoxy-pyridin-4-ylamine; 2-Methoxypyridin-4-amine; 4-Amino-2-methoxypyridine; 2-Methoxypyridin-4-amine; 2-Methoxy-pyridin-4-ylamine

Database IDs

• CAS Number: 100114-58-7; 20265-39-8
• MDL Number: MFCD06738657
• PubChem SID: 160984753
• PubChem CID: 280891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.75100523
• LogD (pH = 7.4): 0.26633328
• Log P: 0.3634337
• Molar Refractivity: 35.3782 cm^3
• Polarizability: 13.090431 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-88°C

Safety Information

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

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2O

DETAILS

Sigma Aldrich - ADE000354

Other Notes
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