2,3-diethylpiperazine

• ChemBase ID: 808095
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(C(NCCN1)CC)CC
• Canonical SMILES: CCC1NCCNC1CC
• InChI: InChI=1S/C8H18N2/c1-3-7-8(4-2)10-6-5-9-7/h7-10H,3-6H2,1-2H3
• InChIKey: FOCWTZQPHKNTMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diethylpiperazine
• IUPAC Traditional name: 2,3-diethylpiperazine
• Synonyms: 2,3-DIETHYL-PIPERAZINE

Database IDs

• CAS Number: 907972-17-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4054935
• LogD (pH = 7.4): -1.2711468
• Log P: 1.149388
• Molar Refractivity: 43.3344 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%