1-(2-ethylbutyl)piperazine

• ChemBase ID: 26823
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(CC)CC)CCNCC1
• Canonical SMILES: CCC(CN1CCNCC1)CC
• InChI: InChI=1S/C10H22N2/c1-3-10(4-2)9-12-7-5-11-6-8-12/h10-11H,3-9H2,1-2H3
• InChIKey: BLMJWLVGFVHJKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethylbutyl)piperazine
• IUPAC Traditional name: 1-(2-ethylbutyl)piperazine
• Synonyms: 1-(2-Ethylbutyl)piperazine

Database IDs

• CAS Number: 57184-38-0
• MDL Number: MFCD09434008
• PubChem SID: 160990130
• PubChem CID: 14981448

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6407012
• LogD (pH = 7.4): -0.77142763
• Log P: 1.7876816
• Molar Refractivity: 53.6897 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false