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Specification
The molecular formula is C10H17N3O2S.
The molecular weight is 243.33 g/mol.
The IUPAC name is 3,4-diamino-N,N-diethylbenzenesulfonamide.
The InChI is InChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3.
The InChIKey is AMLGOCJQWVBKMR-UHFFFAOYSA-N.
The canonical SMILES is CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N)N.
The compound has 2 hydrogen bond donor counts.
The compound has 5 hydrogen bond acceptor counts.
The compound has 4 rotatable bond counts.
Yes, the compound is canonicalized.