2-(dimethylamino)-2-(2-methylphenyl)acetic acid

• ChemBase ID: 307269
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(c1c(C)cccc1)(C(=O)O)N(C)C
• Canonical SMILES: CN(C(c1ccccc1C)C(=O)O)C
• InChI: InChI=1S/C11H15NO2/c1-8-6-4-5-7-9(8)10(11(13)14)12(2)3/h4-7,10H,1-3H3,(H,13,14)
• InChIKey: OKWSBWZEAAPYOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(2-methylphenyl)acetic acid
• IUPAC Traditional name: (dimethylamino)(2-methylphenyl)acetic acid
• Synonyms: (dimethylamino)(2-methylphenyl)acetic acid

Database IDs

• CAS Number: 1096770-57-8
• MDL Number: MFCD08059908

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6107729
• LogD (pH = 7.4): -0.6134579
• Log P: -0.6108012
• Molar Refractivity: 55.4718 cm^3
• Polarizability: 21.48848 Å^3
• Polar Surface Area: 40.54 Å^2