CAS 94319-80-9

1,1-Dimethylethyl N-[2-[(4-chlorobenzoyl)amino]ethyl]carbamate

Description:

1,1-Dimethylethyl N-[2-[(4-chlorobenzoyl)amino]ethyl]carbamate, with the CAS number 94319-80-9, is a chemical compound that belongs to the class of carbamates. This substance features a dimethyl group attached to a tert-butyl moiety, which contributes to its steric bulk and potentially influences its reactivity and solubility. The presence of a 4-chlorobenzoyl group indicates that it has aromatic characteristics, which may enhance its stability and interaction with biological targets. The aminoethyl chain suggests that it may participate in hydrogen bonding, making it relevant in biological systems, particularly in drug design or as a potential herbicide. The chlorobenzoyl moiety may also impart specific electronic properties, affecting the compound's overall reactivity. As with many carbamates, it may exhibit moderate to high toxicity, necessitating careful handling and consideration of environmental impact. Overall, this compound's unique structure suggests potential applications in pharmaceuticals or agrochemicals, warranting further investigation into its biological activity and safety profile.

Formula: C₁₄H₁₉ClN₂O₃

InChI: InChI=1S/C14H19ClN2O3/c1-14(2,3)20-13(19)17-9-8-16-12(18)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,19)

InChI key: InChIKey=HSXKEGXOGORKQP-UHFFFAOYSA-N

SMILES: C(NCCNC(OC(C)(C)C)=O)(=O)C1=CC=C(Cl)C=C1

Synonyms:

• 1,1-Dimethylethyl N-[2-[(4-chlorobenzoyl)amino]ethyl]carbamate
• Carbamic acid, N-[2-[(4-chlorobenzoyl)amino]ethyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [2-[(4-chlorobenzoyl)amino]ethyl]-, 1,1-dimethylethyl ester