1-(2-nitrophenyl)piperazine

• ChemBase ID: 58850
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: N1(CCNCC1)c1c(cccc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1N1CCNCC1
• InChI: InChI=1S/C10H13N3O2/c14-13(15)10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11H,5-8H2
• InChIKey: YJRCDSXLKPERNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-nitrophenyl)piperazine
• IUPAC Traditional name: 1-(2-nitrophenyl)piperazine
• Synonyms: 1-(2-Nitro-phenyl)-piperazine; 1-(2-Nitrophenyl)piperazine 98%; 1-(2-Nitrophenyl)piperazine; 1-(2-硝基苯基)哌嗪

Database IDs

• CAS Number: 59084-06-9
• EC Number: 261-593-1
• MDL Number: MFCD00040728
• PubChem SID: 162063613
• PubChem CID: 100949

CALCULATED PROPERTIES

• Molar Refractivity: 57.5625 cm^3
• Polarizability: 21.503956 Å^3
• Polar Surface Area: 58.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4612156
• LogD (pH = 7.4): 0.11931055
• Log P: 1.4853455

PROPERTIES

Physical Property

• Boiling Point: 142-144°C; 142-144°C/1mm

Safety Information

• Storage Warning: Irritant; IRRITANT-HARMFUL
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%