1-{[3-(bromomagnesio)phenyl]methyl}piperidine

• ChemBase ID: 151958
• Molecular Formular: C12H16BrMgN
• Molecular Mass: 278.47114
• Monoisotopic Mass: 277.03165322
• SMILES: c1cc(cc(c1)[Mg]Br)CN1CCCCC1
• Canonical SMILES: Br[Mg]c1cccc(c1)CN1CCCCC1
• InChI: InChI=1S/C12H16N.BrH.Mg/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1,3,7-8H,2,5-6,9-11H2;1H;/q;;+1/p-1
• InChIKey: QLVYNMWCYBTNEP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(bromomagnesio)phenyl]methyl}piperidine
• IUPAC Traditional name: 1-{[3-(bromomagnesio)phenyl]methyl}piperidine
• Synonyms: [3-(1-Piperidinylmethyl)phenyl]magnesium bromide solution; [3-(1-哌啶甲基)苯基]溴化镁 溶液

Database IDs

• CAS Number: 480424-82-6
• MDL Number: MFCD03840895
• PubChem SID: 162246104; 24880617
• PubChem CID: 16217259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.39537907
• LogD (pH = 7.4): 1.4154861
• Log P: 2.3961
• Molar Refractivity: 64.8942 cm^3
• Polarizability: 26.718939 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °C
• Density: 0.919 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in THF
• Linear Formula: C6H4CH2NC5H10MgBr

DETAILS

Sigma Aldrich - 571210

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.