1-Methylethyl 2-(4-(Acetylamino)-1-Oxobutyl)-5-Chlorobenzenepropanoate
[CAS# 122199-01-3]

Identification

• Name: 1-Methylethyl 2-(4-(Acetylamino)-1-Oxobutyl)-5-Chlorobenzenepropanoate
• Synonyms: Isopropyl 3-[2-(4-Acetamidobutanoyl)-5-Chloro-Phenyl]Propanoate; 3-[2-(4-Acetamido-1-Oxobutyl)-5-Chlorophenyl]Propanoic Acid Isopropyl Ester; 3-[2-(4-Acetamidobutanoyl)-5-Chloro-Phenyl]Propionic Acid Isopropyl Ester
• Molecular Formula: C₁₈H₂₄ClNO₄
• Molecular Weight: 353.84
• CAS Registry Number: 122199-01-3
• SMILES: C1=C(Cl)C=CC(=C1CCC(OC(C)C)=O)C(CCCNC(C)=O)=O
• InChI: 1S/C18H24ClNO4/c1-12(2)24-18(23)9-6-14-11-15(19)7-8-16(14)17(22)5-4-10-20-13(3)21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,21)
• InChIKey: ZFKWRQUCLXBKNL-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 535.651°C at 760 mmHg (Cal.)
• Flash point: 277.752°C (Cal.)