2-Aminomuconic semialdehyde

Base Information

• Chemical Name: 2-Aminomuconic semialdehyde
• CAS No.: 245128-91-0
• Molecular Formula: C6H7NO3
• Molecular Weight: 0
• Metabolomics Workbench ID: 1670
• Nikkaji Number: J1.127.187A
• Wikidata: Q2823203
• Wikipedia: 2-Aminomuconic_semialdehyde
• Mol file: 245128-91-0.mol

Synonyms:2-aminomuconic semialdehyde;2-aminomuconate semialdehyde;2-Aminomuconate 6-semialdehyde;2-aminomuconic acid semialdehyde;(2E,4Z)-2-amino-6-oxohexa-2,4-dienoic acid;2-aminomuconic 6-semialdehyde;2-amino-6-oxo-2,4-hexadienoic acid;245128-91-0;SCHEMBL13176449;CHEBI:15745;CHEBI:77634;QCGTZPZKJPTAEP-REDYYMJGSA-N;LMFA01060191;2-aminomuconic 6-semialdehyde zwitterion;(2E,4Z)-2-ammonio-6-oxohexa-2,4-dienoate;(2E,4Z)-2-azaniumyl-6-oxohexa-2,4-dienoate;C03824;Q2823203

Chemical Property of 2-Aminomuconic semialdehyde

Chemical Property:

• Vapor Pressure: 1.75E-05mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 339°Cat760mmHg
• Flash Point: 158.8°C
• PSA: 0.00000
• Density: 1.28g/cm³
• LogP: 0.00000
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 141.042593085
• Heavy Atom Count: 10
• Complexity: 193

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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