Ethyl 3-nitro-4-(piperazin-1-yl)benzoate

Base Information

• Chemical Name: Ethyl 3-nitro-4-(piperazin-1-yl)benzoate
• CAS No.: 886631-29-4
• Molecular Formula: C13H17N3O4
• Molecular Weight: 279.29
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40589263
• Wikidata: Q82482513
• Mol file: 886631-29-4.mol

Synonyms:ethyl 3-nitro-4-(piperazin-1-yl)benzoate;886631-29-4;ethyl 3-nitro-4-piperazin-1-ylbenzoate;DTXSID40589263;BBL005622;MFCD07613591;STK347381;AKOS000297245;MCULE-6044953098;Ethyl 3-nitro-4-piperazin-1-yl-benzoate;VS-01587;DB-370349;CS-0322076;EN300-18426603

Chemical Property of Ethyl 3-nitro-4-(piperazin-1-yl)benzoate

Chemical Property:

• Melting Point: 96
• PSA: 87.39000
• LogP: 2.09810
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 279.12190603
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 3-Nitro-4-(piperazin-1-yl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-]