Methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

Base Information

• Chemical Name: Methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
• CAS No.: 13574-76-0
• Molecular Formula: C21H21N3O9
• Molecular Weight: 459.4061
• NSC Number: 118442
• DSSTox Substance ID: DTXSID60297838
• Mol file: 13574-76-0.mol

Synonyms:13574-76-0;NSC118442;DTXSID60297838;NSC-118442;Methyl 3-{[(benzyloxy)carbonyl]amino}-4-{[2-(4-nitrophenoxy)-2-oxoethyl]amino}-4-oxobutanoate (non-preferred name)

Chemical Property of Methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

Chemical Property:

• Vapor Pressure: 1.74E-20mmHg at 25°C
• Boiling Point: 718.3°C at 760 mmHg
• Flash Point: 388.2°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:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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