2-chloro-N,N-bis(2-methylpropyl)acetamide

• ChemBase ID: 307850
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: N(C(=O)CCl)(CC(C)C)CC(C)C
• Canonical SMILES: ClCC(=O)N(CC(C)C)CC(C)C
• InChI: InChI=1S/C10H20ClNO/c1-8(2)6-12(7-9(3)4)10(13)5-11/h8-9H,5-7H2,1-4H3
• InChIKey: ARVSNCMWOCPYNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-bis(2-methylpropyl)acetamide
• IUPAC Traditional name: 2-chloro-N,N-bis(2-methylpropyl)acetamide
• Synonyms: 2-chloro-N,N-diisobutylacetamide

Database IDs

• CAS Number: 5326-82-9
• MDL Number: MFCD00040035

CALCULATED PROPERTIES

• Log P: 2.443014
• Molar Refractivity: 56.5009 cm^3
• Polarizability: 22.18261 Å^3
• Polar Surface Area: 20.31 Å^2
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.443014
• LogD (pH = 7.4): 2.443014