4-[3-(chloromagnesio)propyl]morpholine

• ChemBase ID: 802376
• Molecular Formular: C7H14ClMgNO
• Molecular Mass: 187.95016
• Monoisotopic Mass: 187.06143345
• SMILES: [Mg](CCCN1CCOCC1)Cl
• Canonical SMILES: Cl[Mg]CCCN1CCOCC1
• InChI: InChI=1S/C7H14NO.ClH.Mg/c1-2-3-8-4-6-9-7-5-8;;/h1-7H2;1H;/q;;+1/p-1
• InChIKey: ZBBJYFPBHHOENG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(chloromagnesio)propyl]morpholine
• IUPAC Traditional name: 4-[3-(chloromagnesio)propyl]morpholine
• Synonyms: CHLORO(3-MORPHOLIN-4-YLPROPYL)MAGNESIUM

Database IDs

• CAS Number: 1196155-14-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5527511
• LogD (pH = 7.4): -0.17957847
• Log P: -0.031
• Molar Refractivity: 43.8476 cm^3
• Polarizability: 18.972878 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%