2-(2-chloroethoxy)acetamide

• ChemBase ID: 294078
• Molecular Formular: C4H8ClNO2
• Molecular Mass: 137.56482
• Monoisotopic Mass: 137.02435618
• SMILES: O=C(N)COCCCl
• Canonical SMILES: ClCCOCC(=O)N
• InChI: InChI=1S/C4H8ClNO2/c5-1-2-8-3-4(6)7/h1-3H2,(H2,6,7)
• InChIKey: KQHRCXCLILUNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethoxy)acetamide
• IUPAC Traditional name: 2-(2-chloroethoxy)acetamide
• Synonyms: 2-(2-Chloroethoxy)acetamide

Database IDs

• CAS Number: 36961-64-5
• MDL Number: MFCD00800223
• PubChem SID: 180679609
• PubChem CID: 11018931

CALCULATED PROPERTIES

• Acid pKa: 14.720274
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.53992003
• LogD (pH = 7.4): -0.53992003
• Log P: -0.53992003
• Molar Refractivity: 30.2626 cm^3
• Polarizability: 11.970681 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%