N-(3,4-dimethoxyphenyl)acetamide

• ChemBase ID: 51747
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c1c(c(ccc1NC(=O)C)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)NC(=O)C
• InChI: InChI=1S/C10H13NO3/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-6H,1-3H3,(H,11,12)
• InChIKey: DZPYVOWPTBVRJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)acetamide
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)acetamide
• Synonyms: N-(3,4-Dimethoxyphenyl)acetamide

Database IDs

• CAS Number: 881-70-9
• MDL Number: MFCD00026126
• PubChem SID: 162056510
• PubChem CID: 244160

CALCULATED PROPERTIES

• Acid pKa: 14.497164
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8956137
• LogD (pH = 7.4): 0.8956136
• Log P: 0.8956137
• Molar Refractivity: 53.8474 cm^3
• Polarizability: 20.259203 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 137 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%