Compound Q&A

What are the physical and chemical properties of 4-[(2-Aminoethyl)(5-chloro-1,3-benzoxazol-2-yl)amino]-2-butanone methanesulfonate (CAS: 1276666-12-6)?

Answer

4-[(2-Aminoethyl)(5-chloro-1,3-benzoxazol-2-yl)amino]-2-butanone methanesulfonate (1:2)
4-[(2-Aminoethyl)(5-chloro-1,3-benzoxazol-2-yl)amino]-2-butanone methanesulfonate (CAS: 1276666-12-6) is a crystalline compound with a molecular weight of approximately 456.05 g/mol. It has a high solubility in organic solvents like DMSO and slightly lower solubility in water. Chemically, it shows moderate reactivity towards nucleophiles and can undergo substitution reactions easily. It is a useful intermediate in organic synthesis and can form stable complexes with various metal ions.

About

English Name 4-[(2-Aminoethyl)(5-chloro-1,3-benzoxazol-2-yl)amino]-2-butanone methanesulfonate (1:2)
Molecular Formula C15H24ClN3O8S2
Molecular Weight 473.96 g/mol
SMILES CC(=O)CCN(CCN)c1nc2cc(ccc2o1)Cl.CS(=O)(=O)O.CS(=O)(=O)O
InChIKey OFKOSCAPTIAIEF-UHFFFAOYSA-N
Last Updated: 2025-10-13 15:08

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