1-tert-butyl-4-(chloromagnesio)piperidine

• ChemBase ID: 802377
• Molecular Formular: C9H18ClMgN
• Molecular Mass: 200.00392
• Monoisotopic Mass: 199.09781896
• SMILES: [Mg](Cl)C1CCN(CC1)C(C)(C)C
• Canonical SMILES: Cl[Mg]C1CCN(CC1)C(C)(C)C
• InChI: InChI=1S/C9H18N.ClH.Mg/c1-9(2,3)10-7-5-4-6-8-10;;/h4H,5-8H2,1-3H3;1H;/q;;+1/p-1
• InChIKey: OHGDASFOHWASJQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-4-(chloromagnesio)piperidine
• IUPAC Traditional name: 1-tert-butyl-4-(chloromagnesio)piperidine
• Synonyms: (1-TERT-BUTYLPIPERIDIN-4-YL)(CHLORO)MAGNESIUM

Database IDs

• CAS Number: 916218-35-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.5695887
• LogD (pH = 7.4): -1.1006651
• Log P: 1.0551
• Molar Refractivity: 51.1175 cm^3
• Polarizability: 21.929585 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%