N,N,1,2,2,6,6-heptamethylpiperidin-4-amine

• ChemBase ID: 151221
• Molecular Formular: C12H26N2
• Molecular Mass: 198.34824
• Monoisotopic Mass: 198.20959884
• SMILES: CC1(CC(CC(N1C)(C)C)N(C)C)C
• Canonical SMILES: CN(C1CC(C)(C)N(C(C1)(C)C)C)C
• InChI: InChI=1S/C12H26N2/c1-11(2)8-10(13(5)6)9-12(3,4)14(11)7/h10H,8-9H2,1-7H3
• InChIKey: VEBFUHQIQCLTJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,1,2,2,6,6-heptamethylpiperidin-4-amine
• IUPAC Traditional name: N,N,1,2,2,6,6-heptamethylpiperidin-4-amine
• Synonyms: N,N,1,2,2,6,6-Heptamethyl-4-piperidinamine; 4-(Dimethylamino)-1,2,2,6,6-pentamethylpiperidine; 4-(二甲氨基)-1,2,2,6,6-五甲基哌啶

Database IDs

• CAS Number: 36177-86-3
• MDL Number: MFCD00011577
• PubChem SID: 162245378; 24858240
• PubChem CID: 5004995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -4.341022
• LogD (pH = 7.4): -2.1536133
• Log P: 1.611279
• Molar Refractivity: 63.5532 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-34 °C(lit.)
• Flash Point: 186.8 °F; 86 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 99%

DETAILS

Sigma Aldrich - 302201

Packaging
1 g in glass bottle
Application
Reactant for consecutive SNAr-dequaternization reactions of heteroaromatic chlorides with tertiary amines1