3-chloro-N,N-dimethylpropanamide

• ChemBase ID: 57281
• Molecular Formular: C5H10ClNO
• Molecular Mass: 135.592
• Monoisotopic Mass: 135.04509163
• SMILES: C(=O)(N(C)C)CCCl
• Canonical SMILES: ClCCC(=O)N(C)C
• InChI: InChI=1S/C5H10ClNO/c1-7(2)5(8)3-4-6/h3-4H2,1-2H3
• InChIKey: OZJYYPUOUHCAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-chloro-N,N-dimethylpropanamide
• Synonyms: 3-Chloro-N,N-dimethylpropanamide

Database IDs

• CAS Number: 17268-49-4
• MDL Number: MFCD02973599
• PubChem SID: 162062044
• PubChem CID: 3269066

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.19142033
• LogD (pH = 7.4): 0.19142035
• Log P: 0.19142035
• Molar Refractivity: 33.7119 cm^3
• Polarizability: 13.023137 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.21

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%