CAS 13908-16-2

N-(2-Chloroethyl)-N′-(3,3,5-trimethylcyclohexyl)urea

Description:

N-(2-Chloroethyl)-N′-(3,3,5-trimethylcyclohexyl)urea, with the CAS number 13908-16-2, is a chemical compound that belongs to the class of ureas, which are characterized by the presence of the functional group -NH2CO-. This particular compound features a chloroethyl group, which contributes to its reactivity, and a bulky 3,3,5-trimethylcyclohexyl substituent that may influence its steric properties and solubility. The presence of the chloroethyl moiety suggests potential applications in organic synthesis or as an intermediate in the production of other chemical entities. The compound is likely to exhibit moderate to low solubility in water, typical of many organic compounds with hydrophobic groups, while being more soluble in organic solvents. Its structure may also impart specific biological activities, making it of interest in medicinal chemistry or agrochemicals. Safety data should be consulted for handling, as the chloroethyl group can pose health risks, including potential toxicity.

Formula: C₁₂H₂₃ClN₂O

InChI: InChI=1S/C12H23ClN2O/c1-9-6-10(8-12(2,3)7-9)15-11(16)14-5-4-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16)

InChI key: InChIKey=DSLTZAHFAWMNRS-UHFFFAOYSA-N

SMILES: N(C(NCCCl)=O)C1CC(C)(C)CC(C)C1

Synonyms:

• Urea, N-(2-chloroethyl)-N′-(3,3,5-trimethylcyclohexyl)-
• NSC 95973
• 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)-urea
• Urea, 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)-
• N-(2-Chloroethyl)-N′-(3,3,5-trimethylcyclohexyl)urea

Urea, N-(2-chloroethyl)-N'-(3,3,5-trimethylcyclohexyl)-

CAS: 13908-16-2

Formula: C₁₂H₂₃ClN₂O

Molecular weight: 246.7768

Ref: IN-DA001A6J