ethyl 2-(dimethylamino)benzoate

• ChemBase ID: 293621
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O=C(OCC)c1ccccc1N(C)C
• Canonical SMILES: CCOC(=O)c1ccccc1N(C)C
• InChI: InChI=1S/C11H15NO2/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3/h5-8H,4H2,1-3H3
• InChIKey: ORBFAMHUKZLWSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(dimethylamino)benzoate
• IUPAC Traditional name: ethyl 2-(dimethylamino)benzoate
• Synonyms: Ethyl 2-(dimethylamino)benzoate; 2-DiMethylaMinobenzoic acid ethyl ester

Database IDs

• CAS Number: 55426-74-9
• PubChem SID: 180679152
• PubChem CID: 596366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4415274
• LogD (pH = 7.4): 2.441574
• Log P: 2.4415746
• Molar Refractivity: 57.2605 cm^3
• Polarizability: 21.409975 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%