2,6-dimethylpiperidine

• ChemBase ID: 76849
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1C(CCCC1C)C
• Canonical SMILES: CC1CCCC(N1)C
• InChI: InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3
• InChIKey: SDGKUVSVPIIUCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpiperidine
• IUPAC Traditional name: 2,6-dimethylpiperidine
• Synonyms: cis-2,6-DIMETHYLPIPERIDINE; 2,6-Lupetidine; 2,6-Dimethylpiperidine

Database IDs

• CAS Number: 504-03-0; 766-17-6
• EC Number: 207-981-6
• MDL Number: MFCD00066304; MFCD00005986
• PubChem SID: 162041751
• PubChem CID: 68843
• Chemspider ID: 62076
• Wikipedia Title: 2,6-Dimethylpiperidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7448595
• LogD (pH = 7.4): -1.4086671
• Log P: 1.4906377
• Molar Refractivity: 35.673 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Low in water; Most organic solvents
• Apperance: Colorless liquid
• Boiling Point: 113.2; 126-129°C
• Flash Point: 11°C; 53 °F
• Density: 0.832; 0.84 g/mL
• Refractive Index: 1.4394
• pKb: ca. 10

Safety Information

• Storage Warning: Highly Flammable/Corrosive
• RTECS: OK5775000
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26
• Main Hazard: Flammable

Product Information

• Purity: 97%; 98%

DETAILS

MP Biomedicals - 05202781

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR13600

Predominantly cis