2-amino-3-methoxybenzamide

• ChemBase ID: 172873
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1ccc(c(c1C(=O)N)N)OC
• Canonical SMILES: COc1cccc(c1N)C(=O)N
• InChI: InChI=1S/C8H10N2O2/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
• InChIKey: KTSGITANKLIJRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methoxybenzamide
• IUPAC Traditional name: 2-amino-3-methoxybenzamide
• Synonyms: 2-Amino-m-anisamide; 2-Amino-3-methoxy-benzamide; 3-Methoxy-2-aminobenzamide

Database IDs

• CAS Number: 106782-78-9
• PubChem SID: 164228783
• PubChem CID: 18536571

CALCULATED PROPERTIES

• Acid pKa: 14.584104
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.48617747
• LogD (pH = 7.4): 0.48727491
• Log P: 0.4872889
• Molar Refractivity: 46.3 cm^3
• Polarizability: 16.843035 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 162-164°C

Safety Information

• Storage Condition: -20°C Freezer