N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine Dicyclohexylamine Salt (Mixture of Diastereomers)

CAS: 1356930-89-6

Ref. TR-A172080

Product Information

• Name: N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine Dicyclohexylamine Salt (Mixture of Diastereomers)
• Synonyms: (2R)-2-Acetamido-3-(1-cyano-2-hydroxyethyl)sulfanylpropanoic acid, N-cyclohexylcyclohexanamine, N-Acetyl-S-(1-cyano-2-hydroxyethyl)-L-cysteine dicyclohexylamine salt, N-Acetyl-S-(1-cyano-2-hydroxyethyl)cysteine dicyclohexylamine salt
• Brand: TRC
• Description: Applications A metabolite of Acrylonitrile (ACN).References Guengerich, F., et al.: Cancer Res., 41, 4925 (1981), Leonard, A., et al.: Mutation Res., 436, 263 (1999), Stadler, R., et al.: J. Agric. Food Chem., 52, 5550 (2004), Dybing, E., et al.: Food Chem. Toxicol., 43, 365 (2005), Rice, J., et al.: Mutation Res., 580, 3 (2005),

Chemical properties

• Molecular weight: 413.57
• Formula: C₁₂H₂₃N·C₈H₁₂N₂O₄S
• Color/Form: Neat
• InChI: InChI=1S/C12H23N.C8H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(12)10-7(8(13)14)4-15-6(2-9)3-11/h11-13H,1-10H2;6-7,11H,3-4H2,1H3,(H,10,12)(H,13,14)/t;6?,7-/m.0/s1
• SMILES: C1CCC(NC2CCCCC2)CC1.CC(=O)N[C@@H](CSC(C#N)CO)C(=O)O