2-chloro-N,N-dimethylpropanamide

• ChemBase ID: 37723
• Molecular Formular: C5H10ClNO
• Molecular Mass: 135.592
• Monoisotopic Mass: 135.04509163
• SMILES: C(=O)(N(C)C)C(Cl)C
• Canonical SMILES: O=C(N(C)C)C(Cl)C
• InChI: InChI=1S/C5H10ClNO/c1-4(6)5(8)7(2)3/h4H,1-3H3
• InChIKey: WDOAUKIEENWZNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-chloro-N,N-dimethylpropanamide
• Synonyms: 2-Chloro-N,N-dimethylpropanamide

Database IDs

• CAS Number: 10397-68-9
• MDL Number: MFCD07345678
• PubChem SID: 161001030
• PubChem CID: 112034

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.52317184
• LogD (pH = 7.4): 0.52317184
• Log P: 0.52317184
• Molar Refractivity: 33.5064 cm^3
• Polarizability: 13.026557 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.34

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%