1-ethyl-2-methylpiperazine

• ChemBase ID: 271612
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(C(CNCC1)C)CC
• Canonical SMILES: CCN1CCNCC1C
• InChI: InChI=1S/C7H16N2/c1-3-9-5-4-8-6-7(9)2/h7-8H,3-6H2,1-2H3
• InChIKey: AKCOBIDAJNERRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-methylpiperazine
• IUPAC Traditional name: 1-ethyl-2-methylpiperazine
• Synonyms: 1-ethyl-2-methylpiperazine

Database IDs

• MDL Number: MFCD08060132
• PubChem SID: 164327522
• PubChem CID: 17750365

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1986308
• LogD (pH = 7.4): -1.9479563
• Log P: 0.42762408
• Molar Refractivity: 39.9109 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.81

Product Information

• Purity: 95%