[4-[(E)-2-acetamido-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate

Base Information

• Chemical Name: [4-[(E)-2-acetamido-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
• CAS No.: 5214-21-1
• Molecular Formula: C22H26 Cl N5 O . Cl H
• Molecular Weight: 348.3936
• DSSTox Substance ID: DTXSID50416733

Synonyms:5214-21-1;[4-[(E)-2-acetamido-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate;AC1NSPTQ;DTXSID50416733;SMSF0004599;CB09353;BIM-0014084.P001;SR-01000198800;SR-01000198800-1

Chemical Property of [4-[(E)-2-acetamido-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate

Chemical Property:

• Vapor Pressure: 1.21E-13mmHg at 25°C
• Boiling Point: 584.4°Cat760mmHg
• Flash Point: 307.2°C
• Density: 1.149g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 348.16852187
• Heavy Atom Count: 25
• Complexity: 518

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)NC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C)OC)NC(=O)C
• Isomeric SMILES: CCC(C)NC(=O)/C(=C\C1=CC(=C(C=C1)OC(=O)C)OC)/NC(=O)C

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