(E)-But-2-enedioic acid;N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine

Base Information

• Chemical Name: (E)-But-2-enedioic acid;N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine
• CAS No.: 124053-67-4
• Molecular Formula: C15H17FN4O4
• Molecular Weight: 0
• Mol file: 124053-67-4.mol

Synonyms:124053-67-4;BDF8933;BDF 8933;(E)-But-2-enedioic acid;N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine;SCHEMBL10627495;RDCPZVYADNZIHI-WLHGVMLRSA-N;2H-Isoindol-2-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydro-, (2Z)-2-butenedioate (1:1)

Chemical Property of (E)-But-2-enedioic acid;N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine

Chemical Property:

• Vapor Pressure: 9.28E-05mmHg at 25°C
• Boiling Point: 339.3°C at 760 mmHg
• Flash Point: 159°C
• PSA: 114.26000
• LogP: 0.41010
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 336.12338320
• Heavy Atom Count: 24
• Complexity: 413

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)NN2CC3=C(C2)C(=CC=C3)F.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CN=C(N1)NN2CC3=C(C2)C(=CC=C3)F.C(=C/C(=O)O)\C(=O)O

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