ethyl 2-(dimethylamino)butanoate

• ChemBase ID: 33566
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: C(=O)(C(N(C)C)CC)OCC
• Canonical SMILES: CCOC(=O)C(N(C)C)CC
• InChI: InChI=1S/C8H17NO2/c1-5-7(9(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3
• InChIKey: UEVIBTFAJWWRKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(dimethylamino)butanoate
• IUPAC Traditional name: ethyl 2-(dimethylamino)butanoate
• Synonyms: Ethyl 2-(dimethylamino)butanoate

Database IDs

• MDL Number: MFCD12026864
• PubChem SID: 160996873
• PubChem CID: 25219285

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3917988
• LogD (pH = 7.4): 1.0682943
• Log P: 1.2621415
• Molar Refractivity: 44.6083 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false