ethyl 4-(dimethylamino)butanoate

• ChemBase ID: 87131
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: O=C(OCC)CCCN(C)C
• Canonical SMILES: CCOC(=O)CCCN(C)C
• InChI: InChI=1S/C8H17NO2/c1-4-11-8(10)6-5-7-9(2)3/h4-7H2,1-3H3
• InChIKey: FNOBLETXVSZOGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(dimethylamino)butanoate
• IUPAC Traditional name: ethyl 4-(dimethylamino)butanoate
• Synonyms: ethyl 4-(dimethylamino)butanoate

Database IDs

• MDL Number: MFCD00110768
• PubChem SID: 162074247
• PubChem CID: 30904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5707724
• LogD (pH = 7.4): -1.0508561
• Log P: 0.69652873
• Molar Refractivity: 45.0448 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true