2-phenylethyl (Z)-4-(carbamoylamino)-4-oxobut-2-enoate

Base Information

• Chemical Name: 2-phenylethyl (Z)-4-(carbamoylamino)-4-oxobut-2-enoate
• CAS No.: 6970-98-5
• Molecular Formula: C13H14 N2 O4
• Molecular Weight: 0
• NSC Number: 19638
• Mol file: 6970-98-5.mol

Synonyms:NSC19638;6970-98-5;NSC-19638

Chemical Property of 2-phenylethyl (Z)-4-(carbamoylamino)-4-oxobut-2-enoate

Chemical Property:

• PSA: 98.49000
• Density: 1.257g/cm³
• LogP: 1.61460
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 262.09535693
• Heavy Atom Count: 19
• Complexity: 360

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCOC(=O)C=CC(=O)NC(=O)N
• Isomeric SMILES: C1=CC=C(C=C1)CCOC(=O)/C=C\C(=O)NC(=O)N

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