(2-{dimethyl[4-(morpholin-4-yl)phenyl]silyl}phenyl)methanol

• ChemBase ID: 297833
• Molecular Formular: C19H25NO2Si
• Molecular Mass: 327.4928
• Monoisotopic Mass: 327.16545558
• SMILES: C[Si](C)(c1ccc(cc1)N1CCOCC1)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1[Si](c1ccc(cc1)N1CCOCC1)(C)C
• InChI: InChI=1S/C19H25NO2Si/c1-23(2,19-6-4-3-5-16(19)15-21)18-9-7-17(8-10-18)20-11-13-22-14-12-20/h3-10,21H,11-15H2,1-2H3
• InChIKey: FQOHSZRBUDMIAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{dimethyl[4-(morpholin-4-yl)phenyl]silyl}phenyl)methanol
• IUPAC Traditional name: (2-{dimethyl[4-(morpholin-4-yl)phenyl]silyl}phenyl)methanol
• Synonyms: 2-(Dimethyl[4-(4-morpholinyl)phenyl]silyl)benzyl alcohol; 2-(二甲基[4-吗啉基苯基]硅烷基)苄醇

Database IDs

• MDL Number: MFCD16251558
• PubChem SID: 180683364
• PubChem CID: 71306639

CALCULATED PROPERTIES

• Acid pKa: 15.01316
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.076864
• LogD (pH = 7.4): 4.0768995
• Log P: 4.0769
• Molar Refractivity: 92.3658 cm^3
• Polarizability: 37.470528 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%