Ethyl 4-[acetyl(4-amino-3-oxobutyl)amino]benzoate-2,4,6-trinitrophenol(1:1)

Base Information

• Chemical Name: Ethyl 4-[acetyl(4-amino-3-oxobutyl)amino]benzoate-2,4,6-trinitrophenol(1:1)
• CAS No.: 4788-65-2
• Molecular Formula: C21H23N5O11
• Molecular Weight: 521.4342
• NSC Number: 107441
• DSSTox Substance ID: DTXSID90296071

Synonyms:4788-65-2;ethyl 4-[acetyl(4-amino-3-oxobutyl)amino]benzoate- 2,4,6-trinitrophenol(1:1);NSC107441;DTXSID90296071;NSC-107441

Chemical Property of Ethyl 4-[acetyl(4-amino-3-oxobutyl)amino]benzoate-2,4,6-trinitrophenol(1:1)

Chemical Property:

• Vapor Pressure: 6.84E-09mmHg at 25°C
• Boiling Point: 466.9°C at 760 mmHg
• Flash Point: 236.1°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 521.13940657
• Heavy Atom Count: 37
• Complexity: 667

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CN)C(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

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