N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid

Base Information

• Chemical Name: N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid
• CAS No.: 96920-07-9
• Molecular Formula: C8H12 N2 O5
• Molecular Weight: 216.194
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID601153658
• Nikkaji Number: J1.068.804C,J811.389K
• Wikidata: Q27144653
• Pharos Ligand ID: 1G4KJGSNSUWP
• ChEMBL ID: CHEMBL1911373
• Mol file: 96920-07-9.mol

Synonyms:FMDP;N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid;N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid, R-(E)-isomer;N(3)-(4-methoxyfumaroyl)-L-2,3-diaminopropionic acid

Chemical Property of N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid

Chemical Property:

• Vapor Pressure: 8.85E-11mmHg at 25°C
• Boiling Point: 486.1°Cat760mmHg
• Flash Point: 247.8°C
• PSA: 122.21000
• Density: 1.332g/cm³
• LogP: -0.21570
• XLogP3: -4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 216.07462149
• Heavy Atom Count: 15
• Complexity: 287

Purity/Quality:

95-125%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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