1-(3-Nitrobenzyl)piperazine

Base Information

• Chemical Name: 1-(3-Nitrobenzyl)piperazine
• CAS No.: 203047-37-4
• Molecular Formula: C₁₁H₁₅N₃O₂
• Molecular Weight: 221.259
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70358085
• Wikidata: Q82138375
• ChEMBL ID: CHEMBL3908138
• Mol file: 203047-37-4.mol

Synonyms:1-(3-nitrobenzyl)piperazine;203047-37-4;1-[(3-nitrophenyl)methyl]piperazine;1-(3-NITROBENZYL)-PIPERAZINE;Oprea1_488820;SCHEMBL2657985;1-(3-Nitro-benzyl)-piperazine;CHEMBL3908138;SCHEMBL13398457;DTXSID70358085;MFCD02256025;STK346881;AKOS000153743;AKOS005185081;AKOS024267437;BB 0249469;EN300-57640;V10164

Chemical Property of 1-(3-Nitrobenzyl)piperazine

Chemical Property:

• Vapor Pressure: 1.83E-05mmHg at 25°C
• Boiling Point: 363.2°C at 760 mmHg
• PKA: 9.06±0.10(Predicted)
• Flash Point: 173.5°C
• PSA: 61.09000
• Density: 1.204g/cm³
• LogP: 1.78990
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.116426730
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

1-(3-Nitrobenzyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC(=CC=C2)[N+](=O)[O-]