N-(3-chloropropyl)acetamide

• ChemBase ID: 241501
• Molecular Formular: C5H10ClNO
• Molecular Mass: 135.592
• Monoisotopic Mass: 135.04509163
• SMILES: C(=O)(NCCCCl)C
• Canonical SMILES: CC(=O)NCCCCl
• InChI: InChI=1S/C5H10ClNO/c1-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)
• InChIKey: HDPXRRJHKUBNHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chloropropyl)acetamide
• IUPAC Traditional name: N-(3-chloropropyl)acetamide
• Synonyms: N-(3-chloropropyl)acetamide

Database IDs

• MDL Number: MFCD01195314
• PubChem SID: 164297411
• PubChem CID: 3361051

CALCULATED PROPERTIES

• Acid pKa: 15.085956
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.082163
• LogD (pH = 7.4): -0.08216269
• Log P: -0.08216268
• Molar Refractivity: 33.5713 cm^3
• Polarizability: 13.023011 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.157

Product Information

• Purity: 95%