L-Alanine, N-L-alanyl-3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (E)-

Base Information

• Chemical Name: L-Alanine, N-L-alanyl-3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (E)-
• CAS No.: 87768-72-7
• Molecular Formula: C10H16N4O5
• Molecular Weight: 272.2578
• Nikkaji Number: J228.038H
• Wikidata: Q76386728
• Mol file: 87768-72-7.mol

Synonyms:A-19009;antibiotic A 19009;N-(N(3)-fumaramoyl-2,3-diaminopropanoyl)alanine

Chemical Property of L-Alanine, N-L-alanyl-3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (E)-

Chemical Property:

• Vapor Pressure: 1.5E-24mmHg at 25°C
• Boiling Point: 749°C at 760 mmHg
• Flash Point: 406.8°C
• PSA: 172.58000
• Density: 1.368g/cm³
• LogP: 0.59130
• XLogP3: -5.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 272.11206962
• Heavy Atom Count: 19
• Complexity: 407

Purity/Quality:

A-19009 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CNC(=O)C=CC(=O)N)C(=O)O)N
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CNC(=O)/C=C/C(=O)N)C(=O)O)N