bis(2,2,6,6-tetramethylpiperidin-1-yl)zinc

• ChemBase ID: 151312
• Molecular Formular: C18H36N2Zn
• Molecular Mass: 345.87184
• Monoisotopic Mass: 344.21699116
• SMILES: CC1(CCCC(N1[Zn]N1C(CCCC1(C)C)(C)C)(C)C)C
• Canonical SMILES: CC1(C)CCCC(N1[Zn]N1C(C)(C)CCCC1(C)C)(C)C
• InChI: InChI=1S/2C9H18N.Zn/c2*1-8(2)6-5-7-9(3,4)10-8;/h2*5-7H2,1-4H3;/q2*-1;+2
• InChIKey: ZWDZFMQAIVHFHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2,2,6,6-tetramethylpiperidin-1-yl)zinc
• IUPAC Traditional name: bis(2,2,6,6-tetramethylpiperidin-1-yl)zinc
• Synonyms: Zn(tmp)2; Bis(2,2,6,6-tetramethylpiperidinyl)zinc; 双(2,2,6,6-四甲基哌啶基)锌

Database IDs

• MDL Number: MFCD11656062
• PubChem SID: 162245468
• PubChem CID: 15392687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.71022224
• LogD (pH = 7.4): 1.3753254
• Log P: 2.2354
• Molar Refractivity: 88.2988 cm^3
• Polarizability: 38.71713 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 10 °C; 50 °F
• Density: 0.877 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1294
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 63-11-38-48/20-65-67
• Safety Statements: 16-36/37-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H361d-H373
• GHS Precautionary statements: P210-P261-P281-P301 + P310-P331
• RID/ADR: UN 1294 3/PG 2

Product Information

• Concentration: 0.5 M in toluene
• Empirical Formula (Hill Notation): C18H36N2Zn

DETAILS

Sigma Aldrich - 697486

Application
Veratile base used for the synthesis of organozinc.1
Packaging
50 mL in Sure/Seal™