N-butyl-2-chloro-N-ethylacetamide

• ChemBase ID: 251557
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: C(=O)(N(CC)CCCC)CCl
• Canonical SMILES: CCCCN(C(=O)CCl)CC
• InChI: InChI=1S/C8H16ClNO/c1-3-5-6-10(4-2)8(11)7-9/h3-7H2,1-2H3
• InChIKey: UYWAAEYPCHPYEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-chloro-N-ethylacetamide
• IUPAC Traditional name: N-butyl-2-chloro-N-ethylacetamide
• Synonyms: N-butyl-2-chloro-N-ethylacetamide

Database IDs

• MDL Number: MFCD03001141
• PubChem SID: 164307467
• PubChem CID: 24709516

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6351146
• LogD (pH = 7.4): 1.6351146
• Log P: 1.6351146
• Molar Refractivity: 47.6347 cm^3
• Polarizability: 18.512001 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.927

Product Information

• Purity: 95%