3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide

Base Information

• Chemical Name: 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide
• CAS No.: 78044-16-3
• Molecular Formula: C20H19 F3 N4 O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70228698
• Wikidata: Q83108748
• Mol file: 78044-16-3.mol

Synonyms:3-trifluoromethylbenzoyl-dialanine-4-nitroanilide;m-trifluoromethylbenzoyl-dialanine-p-nitroanilide;TFMBDANA

Chemical Property of 3-Trifluoromethylbenzoyl-dialanine-4-nitroanilide

Chemical Property:

• Vapor Pressure: 3.79E-17mmHg at 25°C
• Boiling Point: 657.2°C at 760 mmHg
• Flash Point: 351.3°C
• PSA: 140.10000
• Density: 1.39g/cm³
• LogP: 4.88660
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 452.13075421
• Heavy Atom Count: 32
• Complexity: 704

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(=O)C(C)NC(=O)C1=CC(=CC=C1)C(F)(F)F)NC2=CC=C(C=C2)[N+](=O)[O-]
• Isomeric SMILES: C[C@@H](C(=O)NC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)C(F)(F)F)NC2=CC=C(C=C2)[N+](=O)[O-]

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