2-amino-5-methoxybenzamide

• ChemBase ID: 288388
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: O=C(N)c1cc(OC)ccc1N
• Canonical SMILES: COc1ccc(c(c1)C(=O)N)N
• InChI: InChI=1S/C8H10N2O2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
• InChIKey: NWZIAOBMRQYTTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methoxybenzamide
• IUPAC Traditional name: 2-amino-5-methoxybenzamide
• Synonyms: 2-Amino-5-methoxybenzamide

Database IDs

• CAS Number: 1882-71-9
• PubChem SID: 180673919
• PubChem CID: 20338217

CALCULATED PROPERTIES

• Acid pKa: 14.498322
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.48317677
• LogD (pH = 7.4): 0.48723692
• Log P: 0.4872889
• Molar Refractivity: 46.3 cm^3
• Polarizability: 16.841032 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%