2,6-dimethylpiperazine

• ChemBase ID: 10709
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C1(CNCC(N1)C)C
• Canonical SMILES: CC1CNCC(N1)C
• InChI: InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3
• InChIKey: IFNWESYYDINUHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpiperazine
• IUPAC Traditional name: 2,6-dimethylpiperazine
• Synonyms: 2,6-Dimethylpiperazine; 2,6-Dimethylpiperazine; 2,6-二甲基哌嗪

Database IDs

• CAS Number: 108-49-6
• EC Number: 203-588-9
• MDL Number: MFCD07772435; MFCD00005956
• Beilstein Number: 79881
• PubChem SID: 24893547; 160974016
• PubChem CID: 66056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3636115
• LogD (pH = 7.4): -2.2065456
• Log P: 0.10434322
• Molar Refractivity: 34.2864 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108-111 °C(lit.); 108-111°C
• Boiling Point: 162 °C(lit.); 162°C
• Flash Point: 113 °F; 45 °C
• Hydrophobicity(logP): -0.446

Safety Information

• Storage Warning: FLAMMABLE
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H14N2

DETAILS

MP Biomedicals - 05204352

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D179809

Other Notes
Remainder water
Packaging
1, 5, 25 g in glass bottle