N,N-dibutyl-2-chloroacetamide

• ChemBase ID: 251535
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: C(=O)(N(CCCC)CCCC)CCl
• Canonical SMILES: CCCCN(C(=O)CCl)CCCC
• InChI: InChI=1S/C10H20ClNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3
• InChIKey: GWLDNNDUGQPSRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutyl-2-chloroacetamide
• IUPAC Traditional name: N,N-dibutyl-2-chloroacetamide
• Synonyms: N,N-dibutyl-2-chloroacetamide

Database IDs

• MDL Number: MFCD00040118
• PubChem SID: 164307445
• PubChem CID: 222374

CALCULATED PROPERTIES

• Molar Refractivity: 56.7597 cm^3
• Polarizability: 22.18261 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6022058
• LogD (pH = 7.4): 2.6022058
• Log P: 2.6022058

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.985

Product Information

• Purity: 95%