4-[Bis(2-chloroethyl)amino]phenyl hydrogen sulfate - 2,6-dimethylpyridine (1:1)

ChemSpider ID: 282494
Molecular Formula: C₁₇H₂₂Cl₂N₂O₄S
Monoisotopic mass: 420.067719 Da
Systematic name

4-[Bis(2-chloroethyl)amino]phenyl hydrogen sulfate - 2,6-dimethylpyridine (1:1)
SMILES and InChIs

SMILES:

ClCCN(c1ccc(OS(=O)(=O)O)cc1)CCCl.n1c(cccc1C)C Copied

Std. InChI:

InChI=1S/C10H13Cl2NO4S.C7H9N/c11-5-7-13(8-6-12)9-1-3-10(4-2-9)17-18(14,15)16;1-6-4-3-5-7(2)8-6/h1-4H,5-8H2,(H,14,15,16);3-5H,1-2H3 Copied

Std. InChIKey:

QNIFZTABOYDWNV-UHFFFAOYSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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