Denatonium Benzoate Hydrate

• Hazard Statement:

  No Data Available

• Smiles:

  O.CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2.[O-]C(=O)c3ccccc3

• Molecular Formula:

  C21 H29 N2 O . C7 H5 O2 . H2 O

• Molecular Weight:

  464.596

• InChI:

  InChI=1S/C21H28N2O.C7H6O2.H2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6;/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9);1H2

• Additionnal Information:

  IUPAC name: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate

• Shipping Conditions:

  Room Temperature

• CAS Number:

  86398-53-0