4-{3-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}morpholine

• ChemBase ID: 23703
• Molecular Formular: C14H20N2OSi
• Molecular Mass: 260.4069
• Monoisotopic Mass: 260.1344898
• SMILES: c1cnc(c(c1)C#C[Si](C)(C)C)N1CCOCC1
• Canonical SMILES: C[Si](C#Cc1cccnc1N1CCOCC1)(C)C
• InChI: InChI=1S/C14H20N2OSi/c1-18(2,3)12-6-13-5-4-7-15-14(13)16-8-10-17-11-9-16/h4-5,7H,8-11H2,1-3H3
• InChIKey: JZOKINPFTYKOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}morpholine
• IUPAC Traditional name: 4-{3-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}morpholine
• Synonyms: 4-(3-Trimethylsilanylethynyl-pyridin-2-yl)-morpholine; 4-(3-Trimethylsilanylethynyl-pyridin-2-yl)-morpholine

Database IDs

• CAS Number: 499193-56-5
• MDL Number: MFCD06658998
• PubChem SID: 160987010
• PubChem CID: 17998713

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.027072
• LogD (pH = 7.4): 3.3480897
• Log P: 3.3543
• Molar Refractivity: 67.9543 cm^3
• Polarizability: 28.931576 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C14H20N2OSi

DETAILS

Sigma Aldrich - ADE000259

Other Notes
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