1,2,2,6,6-pentamethylpiperidine

• ChemBase ID: 128846
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: CC1(CCCC(N1C)(C)C)C
• Canonical SMILES: CN1C(C)(C)CCCC1(C)C
• InChI: InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3
• InChIKey: XULIXFLCVXWHRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,2,6,6-pentamethylpiperidine
• IUPAC Traditional name: pempidine
• Synonyms: Pempidine; PMP; Pempidine; 1,2,2,6,6-Pentamethylpiperidine; 潘必定; 1,2,2,6,6-五甲基哌啶

Database IDs

• CAS Number: 79-55-0
• EC Number: 201-211-2
• MDL Number: MFCD00006493
• Beilstein Number: 103806
• Merck Index: 147080
• PubChem SID: 24887063; 162223150; 24856594
• PubChem CID: 6603
• Chemspider ID: 6353
• Unique Ingredient Identifier: N5I18JI9D6
• Wikipedia Title: Pempidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0613143
• LogD (pH = 7.4): -0.77342993
• Log P: 2.434839
• Molar Refractivity: 50.2441 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 187-188 °C(lit.); 187-188°C
• Flash Point: 122 °F; 131 °F; 50 °C; 50°C(122°F); 55 °C
• Density: 0.858; 0.858 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.460; n20/D 1.460(lit.)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: TN2190000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1992; UN1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H315-H319-H335; H226-H302-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 3

Product Information

• Purity: ≥99.0% (GC); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C10H21N

DETAILS

Sigma Aldrich - 274631

General description
Sterically hindered, strong base
Packaging
5 g in glass bottle

Sigma Aldrich - 76850

Other Notes
One of the most strongly basic tertiary amines (sterically hindered and nonquaternizing)1