4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate

Base Information

• Chemical Name: 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate
• CAS No.: 13574-80-6
• Molecular Formula: C21H21N3O9
• Molecular Weight: 459.4061
• NSC Number: 118444
• DSSTox Substance ID: DTXSID30297840

Synonyms:13574-80-6;NSC118444;4-methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate;DTXSID30297840;NSC-118444

Chemical Property of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate

Chemical Property:

• Vapor Pressure: 6.63E-21mmHg at 25°C
• Boiling Point: 725.5°Cat760mmHg
• Flash Point: 392.6°C
• Density: 1.362g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 459.12777926
• Heavy Atom Count: 33
• Complexity: 696

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)OCC2=CC=CC=C2

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