2-chloro-N-(2-methoxyethyl)acetamide

• ChemBase ID: 34959
• Molecular Formular: C5H10ClNO2
• Molecular Mass: 151.5914
• Monoisotopic Mass: 151.04000625
• SMILES: C(=O)(NCCOC)CCl
• Canonical SMILES: COCCNC(=O)CCl
• InChI: InChI=1S/C5H10ClNO2/c1-9-3-2-7-5(8)4-6/h2-4H2,1H3,(H,7,8)
• InChIKey: VPXIGHWTJSUAIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-methoxyethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-methoxyethyl)acetamide
• Synonyms: 2-Chloro-N-(2-methoxyethyl)acetamide

Database IDs

• CAS Number: 10263-66-8
• MDL Number: MFCD00996278
• PubChem SID: 160998266
• PubChem CID: 2386048

CALCULATED PROPERTIES

• Acid pKa: 12.904397
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.31624398
• LogD (pH = 7.4): -0.31624517
• Log P: -0.31624395
• Molar Refractivity: 35.1593 cm^3
• Polarizability: 13.781551 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.111

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%