(2Z)-2-aminobut-2-enoic acid

Base Information

• Chemical Name: (2Z)-2-aminobut-2-enoic acid
• CAS No.: 71018-10-5
• Molecular Formula: C4H9NO2
• Molecular Weight: 101.1
• UNII: 66QL1S96RM
• DSSTox Substance ID: DTXSID401309522
• Nikkaji Number: J1.018.629C,J19.823D
• Wikidata: Q27094626,Q27104608
• Metabolomics Workbench ID: 53654

Synonyms:A,B-DHABA;alpha, beta-dehydroaminobutyric acid;alpha, beta-dehydroaminobutyric acid, (E)-isomer

Chemical Property of (2Z)-2-aminobut-2-enoic acid

Chemical Property:

• Vapor Pressure: 0.00396mmHg at 25°C
• Boiling Point: 259.2°C at 760 mmHg
• Flash Point: 110.5°C
• PSA: 63.32000
• Density: 1.171g/cm³
• LogP: 0.63380
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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