2-amino-4,5-dimethoxybenzamide

• ChemBase ID: 265435
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: c1(c(cc(c(c1)OC)OC)N)C(=O)N
• Canonical SMILES: COc1cc(C(=O)N)c(cc1OC)N
• InChI: InChI=1S/C9H12N2O3/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H2,11,12)
• InChIKey: RLWBNRZPIQCPFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4,5-dimethoxybenzamide
• IUPAC Traditional name: 2-amino-4,5-dimethoxybenzamide
• Synonyms: 2-amino-4,5-dimethoxybenzamide

Database IDs

• MDL Number: MFCD00034795
• PubChem SID: 164321345
• PubChem CID: 10867236

CALCULATED PROPERTIES

• Acid pKa: 14.601014
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.32806802
• LogD (pH = 7.4): 0.3295981
• Log P: 0.32961762
• Molar Refractivity: 52.7632 cm^3
• Polarizability: 19.388613 Å^3
• Polar Surface Area: 87.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): 0.025

Product Information

• Purity: 95%