Acetylalanyl-prolyl-valyl-trifluoromethyl ketone

Base Information

• Chemical Name: Acetylalanyl-prolyl-valyl-trifluoromethyl ketone
• CAS No.: 116380-62-2
• Molecular Formula: C16H24 F3 N3 O4
• Molecular Weight: 379.37
• DSSTox Substance ID: DTXSID20151381
• Wikidata: Q83017835
• Mol file: 116380-62-2.mol

Synonyms:Ac-Ala-Pro-Val-trifluoromethyl ketone;acetylalanyl-prolyl-valyl-trifluoromethyl ketone;APV-TFMK;trifluromethyl ketone, acetyl-alanyl-prolyl-valyl-

Chemical Property of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone

Chemical Property:

• Vapor Pressure: 8.22E-11mmHg at 25°C
• Boiling Point: 517.4°Cat760mmHg
• Flash Point: 266.7°C
• PSA: 102.56000
• Density: 1.244g/cm³
• LogP: 2.39270
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 379.17189074
• Heavy Atom Count: 26
• Complexity: 578

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)C(F)(F)F)N1CCCC1C(=O)NC(=O)C(C)NC(=O)C
• Isomeric SMILES: C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C(C)C)C(=O)C(F)(F)F)NC(=O)C