N-(2-butoxyethyl)-2-chloroacetamide

• ChemBase ID: 261904
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(NCCOCCCC)CCl
• Canonical SMILES: CCCCOCCNC(=O)CCl
• InChI: InChI=1S/C8H16ClNO2/c1-2-3-5-12-6-4-10-8(11)7-9/h2-7H2,1H3,(H,10,11)
• InChIKey: PUFYPMPHTLDFEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-butoxyethyl)-2-chloroacetamide
• IUPAC Traditional name: N-(2-butoxyethyl)-2-chloroacetamide
• Synonyms: N-(2-butoxyethyl)-2-chloroacetamide

Database IDs

• MDL Number: MFCD12913021
• PubChem SID: 164317814
• PubChem CID: 45791926

CALCULATED PROPERTIES

• Acid pKa: 13.328609
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.007655
• LogD (pH = 7.4): 1.0076545
• Log P: 1.007655
• Molar Refractivity: 49.0329 cm^3
• Polarizability: 19.243603 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.418

Product Information

• Purity: 95%