ethyl 4-(diethylamino)benzoate

• ChemBase ID: 109902
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: CCOC(=O)c1ccc(cc1)N(CC)CC
• Canonical SMILES: CCOC(=O)c1ccc(cc1)N(CC)CC
• InChI: InChI=1S/C13H19NO2/c1-4-14(5-2)12-9-7-11(8-10-12)13(15)16-6-3/h7-10H,4-6H2,1-3H3
• InChIKey: XPKFLEVLLPKCIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(diethylamino)benzoate
• IUPAC Traditional name: ethyl 4-(diethylamino)benzoate
• Synonyms: ETHYL p-DIETHYLAMINOBENZOATE

Database IDs

• CAS Number: 10287-54-4
• PubChem SID: 162096383
• PubChem CID: 82517

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1473882
• LogD (pH = 7.4): 3.1550913
• Log P: 3.1551905
• Molar Refractivity: 66.7577 cm^3
• Polarizability: 25.091772 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212949

MP Biomedicals Rare Chemical collection