4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid

Base Information

• Chemical Name: 4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid
• CAS No.: 942474-64-8
• Molecular Formula: C13H16N2O5
• Molecular Weight: 280.27654
• DSSTox Substance ID: DTXSID40655679
• Mol file: 942474-64-8.mol

Synonyms:4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid;942474-64-8;DTXSID40655679;MFCD08692433;AKOS000214454;AKOS017268553;4-(2,6-Dimethylmorpholino)-3-nitrobenzoicacid;4-(2,6-Dimethylmorpholino)-3-nitrobenzoic acid

Chemical Property of 4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid

Chemical Property:

• Melting Point: 201-203
• PSA: 95.59000
• LogP: 2.49480
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 280.10592162
• Heavy Atom Count: 20
• Complexity: 373

Purity/Quality:

98%min ^*data from raw suppliers

4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CC(O1)C)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]