N,N,2,2,6,6-hexamethylpiperidin-4-amine

• ChemBase ID: 145883
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: CC1(CC(CC(N1)(C)C)N(C)C)C
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C11H24N2/c1-10(2)7-9(13(5)6)8-11(3,4)12-10/h9,12H,7-8H2,1-6H3
• InChIKey: LRAJIZNKBMCWJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2,2,6,6-hexamethylpiperidin-4-amine
• IUPAC Traditional name: N,N,2,2,6,6-hexamethylpiperidin-4-amine
• Synonyms: N,N,2,2,6,6-Hexamethyl-4-piperidinamine; 4-Dimethylamino-2,2,6,6-tetramethylpiperidine; 4-二甲氨基-2,2,6,6-四甲基哌啶

Database IDs

• CAS Number: 32327-90-5
• MDL Number: MFCD00011573
• PubChem SID: 162240083; 24857989
• PubChem CID: 547352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.658198
• LogD (pH = 7.4): -2.6068995
• Log P: 1.2282311
• Molar Refractivity: 58.2585 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 120.2 °F; 49 °C
• Refractive Index: n20/D 1.4641(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-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 1993 3/PG 3

Pharmacology Properties

• Gene Information: rat ... Grin2a(24409)

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C11H24N2

DETAILS

Sigma Aldrich - 298573

Packaging
1 g in glass bottle
Application
Reactant for: Self-aggregation of supramolecules of nitroxides1 Synthesis of unsymmetrical spin-labeled bolaamphiphiles2