4-(4-Benzylpiperazino)-3-nitrobenzenecarbaldehyde

Base Information

• Chemical Name: 4-(4-Benzylpiperazino)-3-nitrobenzenecarbaldehyde
• CAS No.: 301193-53-3
• Molecular Formula: C18H19N3O3
• Molecular Weight: 325.4
• DSSTox Substance ID: DTXSID301210017
• Mol file: 301193-53-3.mol

Synonyms:4-(4-benzylpiperazin-1-yl)-3-nitrobenzaldehyde;4-(4-Benzylpiperazino)-3-nitrobenzenecarbaldehyde;301193-53-3;Oprea1_535279;DTXSID301210017;BMA19353;MFCD00954856;AKOS003588364;CS-0333274;1X-0701;SR-01000307748;4-(4-Benzylpiperazino)-3-nitrobenzenecarboxaldehyde;SR-01000307748-1;3-Nitro-4-[4-(phenylmethyl)-1-piperazinyl]benzaldehyde

Chemical Property of 4-(4-Benzylpiperazino)-3-nitrobenzenecarbaldehyde

Chemical Property:

• PKA: 7.23±0.10(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 325.14264148
• Heavy Atom Count: 24
• Complexity: 426

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Benzylpiperazino)-3-nitrobenzenecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]