N-(4-chlorophenyl)-N-ethylformamide

• ChemBase ID: 86709
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: N(c1ccc(cc1)Cl)(C=O)CC
• Canonical SMILES: CCN(c1ccc(cc1)Cl)C=O
• InChI: InChI=1S/C9H10ClNO/c1-2-11(7-12)9-5-3-8(10)4-6-9/h3-7H,2H2,1H3
• InChIKey: AJNZQFLAIQZRTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chlorophenyl)-N-ethylformamide
• IUPAC Traditional name: N-(4-chlorophenyl)-N-ethylformamide
• Synonyms: N-(4-Chlorophenyl)-N-ethylformamide; N-ETHYL-p-CHLOROFORMANILIDE

Database IDs

• CAS Number: 13519-67-0
• MDL Number: MFCD00046138
• PubChem SID: 162073825
• PubChem CID: 2799974

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9871762
• LogD (pH = 7.4): 1.9871762
• Log P: 1.9871762
• Molar Refractivity: 49.0998 cm^3
• Polarizability: 18.915958 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05203032

MP Biomedicals Rare Chemical collection