Caffeine N-acetyl-L-tryptophan

Base Information

• Chemical Name: Caffeine N-acetyl-L-tryptophan
• CAS No.: 60364-24-1
• Molecular Formula: C21H22N6O5
• Molecular Weight: 438.43658
• UNII: 6MZ5U00NZC
• Wikidata: Q27265179
• Mol file: 60364-24-1.mol

Synonyms:Adrifane;Caffeine N-acetyl-L-tryptophan;6MZ5U00NZC;60364-24-1;UNII-6MZ5U00NZC;A 50;1,3,7-Trimethylxanthine acetyltryptophanate;Caffeine N-acetyl-L-tryptophan [WHO-DD];Q27265179

Chemical Property of Caffeine N-acetyl-L-tryptophan

Chemical Property:

• Vapor Pressure: 1.15E-28mmHg at 25°C
• Boiling Point: 822.9°C at 760 mmHg
• Flash Point: 451.5°C
• PSA: 147.00000
• LogP: 0.64520
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 440.18081789
• Heavy Atom Count: 32
• Complexity: 625

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C
• Isomeric SMILES: CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C