N-[2-(ethylamino)ethyl]acetamide

• ChemBase ID: 264040
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NCCNCC)C
• Canonical SMILES: CCNCCNC(=O)C
• InChI: InChI=1S/C6H14N2O/c1-3-7-4-5-8-6(2)9/h7H,3-5H2,1-2H3,(H,8,9)
• InChIKey: WIAGPADICWLXLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(ethylamino)ethyl]acetamide
• IUPAC Traditional name: N-[2-(ethylamino)ethyl]acetamide
• Synonyms: N-[2-(ethylamino)ethyl]acetamide

Database IDs

• MDL Number: MFCD11162617
• PubChem SID: 164319950
• PubChem CID: 10290816

CALCULATED PROPERTIES

• Acid pKa: 16.433786
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.006465
• LogD (pH = 7.4): -3.0312707
• Log P: -0.81420773
• Molar Refractivity: 36.8356 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.497

Product Information

• Purity: 95%