2-chloro-N-pentylacetamide

• ChemBase ID: 58052
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: C(=O)(NCCCCC)CCl
• Canonical SMILES: CCCCCNC(=O)CCl
• InChI: InChI=1S/C7H14ClNO/c1-2-3-4-5-9-7(10)6-8/h2-6H2,1H3,(H,9,10)
• InChIKey: IKXRITWWKPLPOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-pentylacetamide
• IUPAC Traditional name: 2-chloro-N-pentylacetamide
• Synonyms: 2-Chloro-N-pentylacetamide

Database IDs

• CAS Number: 32322-78-4
• MDL Number: MFCD00018917
• PubChem SID: 162062815
• PubChem CID: 222360

CALCULATED PROPERTIES

• Acid pKa: 13.497409
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4991993
• LogD (pH = 7.4): 1.4991989
• Log P: 1.4991993
• Molar Refractivity: 42.5904 cm^3
• Polarizability: 16.679893 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.651

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%