5-methyl-2-(methylamino)benzoic acid

• ChemBase ID: 312618
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: c1(C(=O)O)c(ccc(c1)C)NC
• Canonical SMILES: CNc1ccc(cc1C(=O)O)C
• InChI: InChI=1S/C9H11NO2/c1-6-3-4-8(10-2)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
• InChIKey: WRIRRGCIWLBVIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(methylamino)benzoic acid
• IUPAC Traditional name: 5-methyl-2-(methylamino)benzoic acid
• Synonyms: 5-methyl-2-(methylamino)benzoic acid

Database IDs

• CAS Number: 54675-16-0
• MDL Number: MFCD07439742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3096217
• LogD (pH = 7.4): -0.39400396
• Log P: 2.2670283
• Molar Refractivity: 48.5492 cm^3
• Polarizability: 17.403503 Å^3
• Polar Surface Area: 49.33 Å^2