2-amino-5-methoxy-N-methylbenzamide

• ChemBase ID: 268259
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1(C(=O)NC)c(ccc(c1)OC)N
• Canonical SMILES: CNC(=O)c1cc(OC)ccc1N
• InChI: InChI=1S/C9H12N2O2/c1-11-9(12)7-5-6(13-2)3-4-8(7)10/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: BDORBSSOFNENAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methoxy-N-methylbenzamide
• IUPAC Traditional name: 2-amino-5-methoxy-N-methylbenzamide
• Synonyms: 2-amino-5-methoxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD12811081
• PubChem SID: 164324169
• PubChem CID: 13853832

CALCULATED PROPERTIES

• Acid pKa: 14.863372
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.70669544
• LogD (pH = 7.4): 0.7109109
• Log P: 0.710965
• Molar Refractivity: 51.1967 cm^3
• Polarizability: 18.674303 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 0.617

Product Information

• Purity: 95%