N-Cyclohexylcyclohexanamine,(2S,3R)-3-Hydroxy-2-[(2-Nitrophenyl)Sulfanylamino]Butanoic Acid
[CAS# 14921-33-6]

Identification

• Name: N-Cyclohexylcyclohexanamine,(2S,3R)-3-Hydroxy-2-[(2-Nitrophenyl)Sulfanylamino]Butanoic Acid
• Synonyms: N-(2-Nitrophenylsulfenyl)-L-threonine (dicyclohexylammonium) salt; N-O-NITROPHENYLSULFENYL-L-THREONINEDI AMMONIUMSALT; N6503_SIGMA
• Molecular Formula: C₂₂H₃₅N₃O₅S
• Molecular Weight: 453.60
• CAS Registry Number: 14921-33-6
• SMILES: [O-][N+](=O)c1ccccc1SN[C@H](C(=O)O)[C@H](O)C.N(C1CCCCC1)C2CCCCC2
• InChI: 1S/C12H23N.C10H12N2O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(13)9(10(14)15)11-18-8-5-3-2-4-7(8)12(16)17/h11-13H,1-10H2;2-6,9,11,13H,1H3,(H,14,15)/t;6-,9+/m.1/s1
• InChIKey: CUVBJZTVYWZAQK-VPDPXZGZSA-N

Properties

• Boiling point: 637.9°C at 760 mmHg (Cal.)
• Flash point: 339.6°C (Cal.)
• Refractive index: (Cal.)