4-[2-(trimethylsilyl)ethynyl]morpholine

• ChemBase ID: 140025
• Molecular Formular: C9H17NOSi
• Molecular Mass: 183.32288
• Monoisotopic Mass: 183.1079407
• SMILES: C[Si](C)(C)C#CN1CCOCC1
• Canonical SMILES: C[Si](C#CN1CCOCC1)(C)C
• InChI: InChI=1S/C9H17NOSi/c1-12(2,3)9-6-10-4-7-11-8-5-10/h4-5,7-8H2,1-3H3
• InChIKey: IZXPPXICNCVEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(trimethylsilyl)ethynyl]morpholine
• IUPAC Traditional name: 4-[2-(trimethylsilyl)ethynyl]morpholine
• Synonyms: 1-(Trimethylsilyl)-2-morpholino acetylene; 4-[(Trimethylsilyl)ethynyl]morpholine; 4-[2-(trimethylsilyl)ethynyl]morpholine; 4-[(三甲基硅基)乙炔基]吗啉; 1-(三甲基硅基)-2-吗啉乙炔

Database IDs

• CAS Number: 64024-63-1
• MDL Number: MFCD05865184
• PubChem SID: 162234270; 24882512
• PubChem CID: 11469470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.35108888
• LogD (pH = 7.4): 1.7586036
• Log P: 1.9228
• Molar Refractivity: 45.4132 cm^3
• Polarizability: 20.241362 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88-90 °C/9 mmHg(lit.)
• Flash Point: 174.2 °F; 79 °C
• Density: 0.931 g/mL at 25 °C(lit.)
• Hydrophobicity(logP): 1.751

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C9H17NOSi

DETAILS

Sigma Aldrich - 632775

Packaging
1 g in glass bottle