2-[(4-ethenylphenyl)methyl]-2-methylpropane-1,3-diol; 2-aminoethan-1-ol; ethane-1,2-diol

• ChemBase ID: 138813
• Molecular Formular: C17H31NO5
• Molecular Mass: 329.43174
• Monoisotopic Mass: 329.2202231
• SMILES: CC(Cc1ccc(cc1)C=C)(CO)CO.C(CO)N.C(CO)O
• Canonical SMILES: C=Cc1ccc(cc1)CC(CO)(CO)C.NCCO.OCCO
• InChI: InChI=1S/C13H18O2.C2H7NO.C2H6O2/c1-3-11-4-6-12(7-5-11)8-13(2,9-14)10-15;2*3-1-2-4/h3-7,14-15H,1,8-10H2,2H3;4H,1-3H2;3-4H,1-2H2
• InChIKey: OLFRTYALZAHZST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-ethenylphenyl)methyl]-2-methylpropane-1,3-diol; 2-aminoethan-1-ol; ethane-1,2-diol
• IUPAC Traditional name: 2-[(4-ethenylphenyl)methyl]-2-methylpropane-1,3-diol; ethanolamine; ethylene glycol
• Synonyms: Poly(styrene-co-divinylbenzene)-graft-poly(ethylene glycol), amine terminated; 胺封端的聚(苯乙烯-co-二乙烯基苯)-接枝-聚(乙二醇)

Database IDs

• PubChem SID: 162233064
• PubChem CID: 24208751

CALCULATED PROPERTIES

• Acid pKa: 14.736892
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1380305
• LogD (pH = 7.4): 2.1380305
• Log P: 2.1380305
• Molar Refractivity: 62.5606 cm^3
• Polarizability: 24.220343 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20
• Safety Statements: 36

Product Information

• Activity: 0.4-0.5 meq/g (Amine values)
• Bead diameter: 150 μm±25 μm

DETAILS

Sigma Aldrich - 464333

Application
Solid phase synthesis support.
Features and Benefits
Swollen by polar and apolar solvents such as water, methanol, DMF and THF.