1-lithio-2,2,6,6-tetramethylpiperidine

• ChemBase ID: 128093
• Molecular Formular: C9H18LiN
• Molecular Mass: 147.18692
• Monoisotopic Mass: 147.15992913
• SMILES: [Li]N1C(C)(C)CCCC1(C)C
• Canonical SMILES: [Li]N1C(C)(C)CCCC1(C)C
• InChI: InChI=1S/C9H18N.Li/c1-8(2)6-5-7-9(3,4)10-8;/h5-7H2,1-4H3;/q-1;+1
• InChIKey: ANYSGBYRTLOUPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-lithio-2,2,6,6-tetramethylpiperidine
• IUPAC Systematic name: 1-Lithio-2,2,6,6-tetramethylpiperidine
• IUPAC Traditional name: lithium tetramethylpiperidide
• Synonyms: Lithium tetramethylpiperidide; 2,2,6,6-Tetramethylpiperidine lithium salt (1:1); LTMP; Lithium 2,2,6,6-tetramethylpiperidide

Database IDs

• CAS Number: 38227-87-1
• MDL Number: MFCD00015910
• PubChem SID: 162222407
• PubChem CID: 11051814
• Chemspider ID: 21428984
• Wikipedia Title: Lithium_tetramethylpiperidide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.38250545
• LogD (pH = 7.4): 1.4317733
• Log P: 1.4927
• Molar Refractivity: 44.1494 cm^3
• Polarizability: 19.30572 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• pKa: 37

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 3
• Risk Statements: 63-14/15-34-62
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H314-H361
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H18LiN

DETAILS

Sigma Aldrich - 735353

Packaging
10, 25 g in glass bottle