2-ethyl-1-methylpiperazine

• ChemBase ID: 307484
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(C(CNCC1)CC)C
• Canonical SMILES: CN1CCNCC1CC
• InChI: InChI=1S/C7H16N2/c1-3-7-6-8-4-5-9(7)2/h7-8H,3-6H2,1-2H3
• InChIKey: AWZLXVAPLHUDSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 4791-32-6
• MDL Number: MFCD09055343

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.023184
• LogD (pH = 7.4): -1.7493197
• Log P: 0.59333855
• Molar Refractivity: 39.6863 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2