4-chloro-N-cyclopentylbutanamide

• ChemBase ID: 300844
• Molecular Formular: C9H16ClNO
• Molecular Mass: 189.68244
• Monoisotopic Mass: 189.09204182
• SMILES: C1CCC(C1)NC(=O)CCCCl
• Canonical SMILES: ClCCCC(=O)NC1CCCC1
• InChI: InChI=1S/C9H16ClNO/c10-7-3-6-9(12)11-8-4-1-2-5-8/h8H,1-7H2,(H,11,12)
• InChIKey: XGXYFLDKDPTZNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-cyclopentylbutanamide
• IUPAC Traditional name: 4-chloro-N-cyclopentylbutanamide
• Synonyms: 4-Chloro-N-cyclopentylbutyramide

Database IDs

• MDL Number: MFCD03374414

CALCULATED PROPERTIES

• Acid pKa: 14.867261
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6111072
• LogD (pH = 7.4): 1.6111073
• Log P: 1.6111073
• Molar Refractivity: 49.9834 cm^3
• Polarizability: 19.62522 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%