N(alpha)-(4-Toluenesulfonyl)-4-Amidinophenylalanylpiperidine
[CAS# 80456-99-1]

Identification

• Name: N(alpha)-(4-Toluenesulfonyl)-4-Amidinophenylalanylpiperidine
• Synonyms: 4-[2-[(4-Methylphenyl)Sulfonylamino]-3-Oxo-3-(1-Piperidyl)Propyl]Benzamidine; 4-[3-Keto-2-[(4-Methylphenyl)Sulfonylamino]-3-Piperidino-Propyl]Benzamidine; 4-[2-[(4-Methylphenyl)Sulfonylamino]-3-Oxo-3-Piperidin-1-Yl-Propyl]Benzenecarboximidamide
• Molecular Formula: C₂₂H₂₈N₄O₃S
• Molecular Weight: 428.55
• CAS Registry Number: 80456-99-1
• SMILES: C3=C(CC(C(N1CCCCC1)=O)N[S](C2=CC=C(C=C2)C)(=O)=O)C=CC(=C3)C(=N)N
• InChI: 1S/C22H28N4O3S/c1-16-5-11-19(12-6-16)30(28,29)25-20(22(27)26-13-3-2-4-14-26)15-17-7-9-18(10-8-17)21(23)24/h5-12,20,25H,2-4,13-15H2,1H3,(H3,23,24)
• InChIKey: PMAVBGMUJOOBHN-UHFFFAOYSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 653.827°C at 760 mmHg (Cal.)
• Flash point: 349.222°C (Cal.)