2,2,5,5-tetramethylpiperazine dihydrochloride

• ChemBase ID: 71016
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1C(CNC(C1)(C)C)(C)C.Cl.Cl
• Canonical SMILES: CC1(C)NCC(NC1)(C)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-7(2)5-10-8(3,4)6-9-7;;/h9-10H,5-6H2,1-4H3;2*1H
• InChIKey: UTQSSKNDEYSPCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,5,5-tetramethylpiperazine dihydrochloride
• IUPAC Traditional name: 2,2,5,5-tetramethylpiperazine dihydrochloride
• Synonyms: 2,2,5,5-Tetramethylpiperazine dihydrochloride

Database IDs

• CAS Number: 858851-27-1
• MDL Number: MFCD22194320
• PubChem SID: 162036722
• PubChem CID: 56965785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9415212
• LogD (pH = 7.4): -1.8342888
• Log P: 0.6654965
• Molar Refractivity: 43.5628 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%