2-chloro-N-ethyl-N-methylacetamide

• ChemBase ID: 33193
• Molecular Formular: C5H10ClNO
• Molecular Mass: 135.592
• Monoisotopic Mass: 135.04509163
• SMILES: C(=O)(N(CC)C)CCl
• Canonical SMILES: CCN(C(=O)CCl)C
• InChI: InChI=1S/C5H10ClNO/c1-3-7(2)5(8)4-6/h3-4H2,1-2H3
• InChIKey: YBYWLBWGIPIYIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethyl-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-ethyl-N-methylacetamide
• Synonyms: 2-Chloro-N-ethyl-N-methylacetamide

Database IDs

• CAS Number: 2746-07-8
• MDL Number: MFCD10686581
• PubChem SID: 160996500
• PubChem CID: 22234698

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.31121558
• LogD (pH = 7.4): 0.31121558
• Log P: 0.31121558
• Molar Refractivity: 33.7611 cm^3
• Polarizability: 13.025647 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false