ethyl piperazine-2-carboxylate dihydrochloride

• ChemBase ID: 289761
• Molecular Formular: C7H16Cl2N2O2
• Molecular Mass: 231.12014
• Monoisotopic Mass: 230.05888312
• SMILES: O=C(C1NCCNC1)OCC.Cl.Cl
• Canonical SMILES: CCOC(=O)C1NCCNC1.Cl.Cl
• InChI: InChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H
• InChIKey: XUILSFCCCIHPIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl piperazine-2-carboxylate dihydrochloride
• IUPAC Traditional name: ethyl piperazine-2-carboxylate dihydrochloride
• Synonyms: Ethyl piperazine-2-carboxylate dihydrochloride

Database IDs

• CAS Number: 129798-91-0
• PubChem SID: 180675292
• PubChem CID: 11253230

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0512261
• LogD (pH = 7.4): -1.3171161
• Log P: -0.53616524
• Molar Refractivity: 40.7964 cm^3
• Polarizability: 16.72713 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%