2-(furan-2-yl)piperazine

• ChemBase ID: 22363
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1cc(oc1)C1CNCCN1
• Canonical SMILES: C1CNC(CN1)c1ccco1
• InChI: InChI=1S/C8H12N2O/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9-10H,3-4,6H2
• InChIKey: LOKVZWIGUJYFLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)piperazine
• IUPAC Traditional name: 2-(furan-2-yl)piperazine
• Synonyms: 2-Furane-2-yl-piperazine; 2-(2-Furyl)piperazine; 2-(2-Furyl)piperazine; 2-(2-呋喃)哌嗪

Database IDs

• CAS Number: 111760-37-3
• EC Number: None
• MDL Number: MFCD06660430
• PubChem SID: 160985670
• PubChem CID: 16740777

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.661118
• LogD (pH = 7.4): -0.96939945
• Log P: 0.11568
• Molar Refractivity: 42.1225 cm^3
• Polarizability: 16.876715 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-88°C

Safety Information

• Storage Warning: IRRITANT
• 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%; 98%