2,2,6,6-tetramethylpiperidine hydrochloride

• ChemBase ID: 153637
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: CC1(CCCC(N1)(C)C)C.Cl
• Canonical SMILES: CC1(C)CCCC(N1)(C)C.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;1H
• InChIKey: GCZDACZURJFILX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethylpiperidine hydrochloride
• IUPAC Traditional name: 2,2,6,6-tetramethylpiperidine hydrochloride
• Synonyms: 2,2,6,6-tetramethylpiperidine hydrochloride; TMP; Tempidine

Database IDs

• CAS Number: 935-22-8
• MDL Number: MFCD00102061
• PubChem SID: 162247776
• PubChem CID: 120465

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1858974
• LogD (pH = 7.4): -0.9358902
• Log P: 2.051791
• Molar Refractivity: 44.9494 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 299-301 °C(lit.)

Safety Information

• RTECS: TN4220400
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22
• Safety Statements: 36
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥98% (TLC)
• Empirical Formula (Hill Notation): C9H19N · HCl

DETAILS

Sigma Aldrich - T4694

General description
Antioxidant.
Physical form
Colorless crystal powder