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CAS 13908-02-6

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1-tert-butyl-3-(2-chloroethyl)urea

Description:
1-tert-butyl-3-(2-chloroethyl)urea is an organic compound characterized by its urea functional group, which is modified by a tert-butyl group and a chloroethyl substituent. This compound typically appears as a solid or crystalline substance and is soluble in polar organic solvents. Its molecular structure features a tert-butyl group, which contributes to its hydrophobic characteristics, while the chloroethyl moiety can impart reactivity, particularly in nucleophilic substitution reactions. The presence of chlorine in the structure suggests potential applications in medicinal chemistry, as halogenated compounds often exhibit unique biological activities. Additionally, the urea group can participate in hydrogen bonding, influencing its interactions with other molecules. This compound may be of interest in various fields, including agrochemicals and pharmaceuticals, due to its potential as a building block in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as the presence of chlorine may pose specific hazards.
Formula:C7H15ClN2O
InChI:InChI=1/C7H15ClN2O/c1-7(2,3)10-6(11)9-5-4-8/h4-5H2,1-3H3,(H2,9,10,11)
SMILES:CC(C)(C)NC(=NCCCl)O
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