2-bromo-N-(2-ethoxyethyl)acetamide

• ChemBase ID: 236287
• Molecular Formular: C6H12BrNO2
• Molecular Mass: 210.06898
• Monoisotopic Mass: 209.00514063
• SMILES: C(=O)(NCCOCC)CBr
• Canonical SMILES: CCOCCNC(=O)CBr
• InChI: InChI=1S/C6H12BrNO2/c1-2-10-4-3-8-6(9)5-7/h2-5H2,1H3,(H,8,9)
• InChIKey: IJDKXBADDOCHCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(2-ethoxyethyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(2-ethoxyethyl)acetamide
• Synonyms: 2-bromo-N-(2-ethoxyethyl)acetamide

Database IDs

• MDL Number: MFCD16487873
• PubChem SID: 164292197
• PubChem CID: 10420626

CALCULATED PROPERTIES

• Acid pKa: 13.123975
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22605924
• LogD (pH = 7.4): 0.22605853
• Log P: 0.22605926
• Molar Refractivity: 42.8914 cm^3
• Polarizability: 16.598438 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.5

Product Information

• Purity: 95%