2-ethylpiperazine

• ChemBase ID: 77817
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1CCNCC1CC
• Canonical SMILES: CCC1CNCCN1
• InChI: InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3
• InChIKey: DXOHZOPKNFZZAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpiperazine
• IUPAC Traditional name: 2-ethylpiperazine
• Synonyms: 2-Ethylpiperazine

Database IDs

• CAS Number: 13961-37-0; 109-07-9
• MDL Number: MFCD03265494
• PubChem SID: 162103897
• PubChem CID: 14094188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2233167
• LogD (pH = 7.4): -2.0540442
• Log P: 0.2102906
• Molar Refractivity: 34.3916 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%