Alanyl-alanyl-phenylalanine chloromethyl ketone

Base Information

• Chemical Name: Alanyl-alanyl-phenylalanine chloromethyl ketone
• CAS No.: 102129-66-8
• Molecular Formula: C16H22 Cl N3 O3
• Molecular Weight: 339.8172
• DSSTox Substance ID: DTXSID60144676
• Wikidata: Q83008925
• Mol file: 102129-66-8.mol

Synonyms:AAF-chloromethylketone;AAF-CMK;AAPCK;Ala-Ala-Phe-chloromethyl ketone;alanyl-alanyl-phenylalanine chloromethyl ketone

Chemical Property of Alanyl-alanyl-phenylalanine chloromethyl ketone

Chemical Property:

• Vapor Pressure: 1.78E-10mmHg at 25°C
• Boiling Point: 508.9 °C at 760 mmHg
• Flash Point: 261.6 °C
• PSA: 104.78000
• Density: 1.215 g/cm³
• LogP: 2.30520
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 339.1349693
• Heavy Atom Count: 23
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

H-Ala-Ala-Phe-chloromethylketoneTFA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(=O)C(C)NC(CC1=CC=CC=C1)C(=O)CCl)N
• Isomeric SMILES: C[C@@H](C(=O)NC(=O)[C@H](C)N[C@@H](CC1=CC=CC=C1)C(=O)CCl)N