Asalin

Base Information

• Chemical Name: Asalin
• CAS No.: 13425-94-0
• Molecular Formula: C22H33Cl2N3O4
• Molecular Weight: 474.48
• DSSTox Substance ID: DTXSID00928538
• Mol file: 13425-94-0.mol

Synonyms:asalin;asalin, (DL-Val-DL-Phe)-isomer;asalin, (L-Val-L-Phe)-isomer

Chemical Property of Asalin

Chemical Property:

• Vapor Pressure: 2.56E-18mmHg at 25°C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 679.5°Cat760mmHg
• Flash Point: 364.7°C
• PSA: 94.72000
• Density: 1.193g/cm³
• LogP: 4.40230
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 473.1848119
• Heavy Atom Count: 31
• Complexity: 563

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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