96131-57-6 Purity
>95.0%(T)
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Specification
The molecular formula is C11H17N3O3S.
The synonyms are 96134-80-4, N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide, N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide, n,n-diethyl-3-hydrazinocarbonyl-benzenesulfonamide, and TimTec1_000839.
The molecular weight is 271.34 g/mol.
The IUPAC name is N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide.
The InChI is InChI=1S/C11H17N3O3S/c1-3-14(4-2)18(16,17)10-7-5-6-9(8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15).
The InChIkey is JVJRCNQOLBMRQX-UHFFFAOYSA-N.
The canonical SMILES is CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN.
The CAS number is 96134-80-4.
The XLogP3-AA value is 0.3.
Yes, it is a canonicalized compound.