ethyl 2-(ethylamino)acetate

• ChemBase ID: 261665
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(OCC)CNCC
• Canonical SMILES: CCNCC(=O)OCC
• InChI: InChI=1S/C6H13NO2/c1-3-7-5-6(8)9-4-2/h7H,3-5H2,1-2H3
• InChIKey: NRMPJIHWGVBZBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(ethylamino)acetate
• IUPAC Traditional name: ethyl 2-(ethylamino)acetate
• Synonyms: ethyl 2-(ethylamino)acetate

Database IDs

• MDL Number: MFCD09953137
• PubChem SID: 164317575
• PubChem CID: 12591597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9230762
• LogD (pH = 7.4): 0.08948281
• Log P: 0.1446148
• Molar Refractivity: 35.0443 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.651

Product Information

• Purity: 95%