1-(6-ethoxypyridin-2-yl)piperazine

• ChemBase ID: 271473
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: n1c(N2CCNCC2)cccc1OCC
• Canonical SMILES: CCOc1cccc(n1)N1CCNCC1
• InChI: InChI=1S/C11H17N3O/c1-2-15-11-5-3-4-10(13-11)14-8-6-12-7-9-14/h3-5,12H,2,6-9H2,1H3
• InChIKey: IGBPLIGXKQSNKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-ethoxypyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(6-ethoxypyridin-2-yl)piperazine
• Synonyms: 1-(6-ethoxypyridin-2-yl)piperazine; 2-Ethoxy-6-(1-piperazinyl)pyridine; 1-(6-Ethoxy-2-pyridyl)piperazine; 1-(6-乙氧基-2-吡啶)哌嗪

Database IDs

• CAS Number: 108122-25-4
• MDL Number: MFCD08061051
• PubChem SID: 164327383
• PubChem CID: 13795742

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2444643
• LogD (pH = 7.4): 0.32409704
• Log P: 1.7157407
• Molar Refractivity: 60.9239 cm^3
• Polarizability: 23.094257 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.483

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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%; 97%