Ppack

Base Information

• Chemical Name: Ppack
• CAS No.: 71142-71-7
• Molecular Formula: C21H31 Cl N6 O3
• Molecular Weight: 450.9622
• UNII: N62UL02WW4
• Nikkaji Number: J617.279B
• ChEMBL ID: CHEMBL307440
• Mol file: 71142-71-7.mol

Synonyms:D-Phe-Pro-Arg CH2Cl;D-phenylalanine-proline-arginine methyl chloride;Phe-Pro-Arg-methyl chloride;phenylalanyl-prolyl-arginine methyl chloride;phenylalanyl-prolyl-arginine methyl chloride, dihydrochloride

Chemical Property of Ppack

Chemical Property:

• PKA: 13.05±0.20(Predicted)
• PSA: 163.63000
• Density: 1.38 g/cm³
• LogP: 2.25500
• Storage Temp.: -15°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 450.2146166
• Heavy Atom Count: 31
• Complexity: 649

Purity/Quality:

99%+, ^*data from raw suppliers

PPACK ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC(CCCN=C(N)N)C(=O)CCl
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CCl
• Uses: As a research tool; as a clinical reagent to measure the level of thrombin in blood.