1-(trimethylsilyl)pyrrolidine

• ChemBase ID: 147670
• Molecular Formular: C7H17NSi
• Molecular Mass: 143.30208
• Monoisotopic Mass: 143.11302608
• SMILES: C[Si](C)(C)N1CCCC1
• Canonical SMILES: C[Si](N1CCCC1)(C)C
• InChI: InChI=1S/C7H17NSi/c1-9(2,3)8-6-4-5-7-8/h4-7H2,1-3H3
• InChIKey: NQLVIKZJXFGUET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trimethylsilyl)pyrrolidine
• IUPAC Traditional name: 1-(trimethylsilyl)pyrrolidine
• Synonyms: 1-(Trimethylsilyl)pyrrolidine; 1-三甲硅基吡咯烷

Database IDs

• CAS Number: 15097-49-1
• EC Number: 239-149-3
• MDL Number: MFCD00003164
• Beilstein Number: 1304636
• PubChem SID: 24856758; 162241857
• PubChem CID: 84791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.7806056
• LogD (pH = 7.4): -1.7040642
• Log P: 1.4921
• Molar Refractivity: 38.7747 cm^3
• Polarizability: 17.36167 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 139-140 °C(lit.)
• Flash Point: 39.2 °F; 4 °C
• Density: 0.821 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.433(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H17NSi

DETAILS

Sigma Aldrich - 277371

Packaging
25 g in glass bottle