Iminoaspartic acid

Base Information

• Chemical Name: Iminoaspartic acid
• CAS No.: 79067-61-1
• Molecular Formula: C4H5NO4
• Molecular Weight: 0
• UNII: QHW8YF5XND
• DSSTox Substance ID: DTXSID30868498
• Nikkaji Number: J1.894.303D
• Wikipedia: Iminosuccinic_acid
• Wikidata: Q18351121,Q105181974
• Metabolomics Workbench ID: 2026
• Mol file: 79067-61-1.mol

Synonyms:iminoaspartate;iminoaspartic acid

Chemical Property of Iminoaspartic acid

Chemical Property:

• Vapor Pressure: 8.49E-06mmHg at 25°C
• Boiling Point: 348.9°C at 760 mmHg
• Flash Point: 164.8°C
• PSA: 98.45000
• Density: 1.58g/cm³
• LogP: -0.33480
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 131.02185764
• Heavy Atom Count: 9
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=N)C(=O)O)C(=O)O

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