2-amino-5-ethoxybenzamide

• ChemBase ID: 277443
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1(C(=O)N)c(ccc(c1)OCC)N
• Canonical SMILES: CCOc1ccc(c(c1)C(=O)N)N
• InChI: InChI=1S/C9H12N2O2/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5H,2,10H2,1H3,(H2,11,12)
• InChIKey: PQNHPVCPFBUZRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-ethoxybenzamide
• IUPAC Traditional name: 2-amino-5-ethoxybenzamide
• Synonyms: 2-amino-5-ethoxybenzamide

Database IDs

• MDL Number: MFCD14621858
• PubChem SID: 164333353
• PubChem CID: 53534939

CALCULATED PROPERTIES

• Acid pKa: 14.494517
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8397413
• LogD (pH = 7.4): 0.84404176
• Log P: 0.84409684
• Molar Refractivity: 51.0486 cm^3
• Polarizability: 18.674341 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 0.934

Product Information

• Purity: 95%