N(beta)-Fumarylcarboxyamido-2,3-diaminopropionic acid

Base Information

• Chemical Name: N(beta)-Fumarylcarboxyamido-2,3-diaminopropionic acid
• CAS No.: 91235-43-7
• Molecular Formula: C7H11 N3 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID401201936
• Wikidata: Q27157686
• Mol file: 91235-43-7.mol

Synonyms:FCDP;N beta-furmarylcarboxyamido-2,3-diaminopropionic acid;N(beta)-fumarylcarboxyamido-2,3-diaminopropionic acid

Chemical Property of N(beta)-Fumarylcarboxyamido-2,3-diaminopropionic acid

Chemical Property:

• Vapor Pressure: 1.5E-16mmHg at 25°C
• Boiling Point: 612°Cat760mmHg
• Flash Point: 323.9°C
• PSA: 135.51000
• Density: 1.405g/cm³
• LogP: -0.65250
• XLogP3: -4.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 201.07495584
• Heavy Atom Count: 14
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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