1,4-diethylpiperazine

• ChemBase ID: 89511
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCN(CC)CC1)CC
• Canonical SMILES: CCN1CCN(CC1)CC
• InChI: InChI=1S/C8H18N2/c1-3-9-5-7-10(4-2)8-6-9/h3-8H2,1-2H3
• InChIKey: DDPRYTUJYNYJKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethylpiperazine
• IUPAC Traditional name: 1,4-diethylpiperazine
• Synonyms: 1,4-Diethylpiperazine; 1,4-Diethylpiperazine; 1,4-二乙基哌嗪

Database IDs

• CAS Number: 6483-50-7
• EC Number: 229-341-5
• MDL Number: MFCD00126900
• PubChem SID: 162076391
• PubChem CID: 80973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.4455822
• LogD (pH = 7.4): -0.84308124
• Log P: 0.750905
• Molar Refractivity: 45.5354 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 156-158°C

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: 97%; 98%