(2R,6S)-2,6-dimethylpiperazine

• ChemBase ID: 89516
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1[C@H](CNC[C@H]1C)C
• Canonical SMILES: C[C@@H]1CNC[C@@H](N1)C
• InChI: InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/t5-,6+
• InChIKey: IFNWESYYDINUHV-OLQVQODUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-2,6-dimethylpiperazine
• IUPAC Traditional name: (2R,6S)-2,6-dimethylpiperazine
• Synonyms: cis-2,6-Dimethylpiperazine; cis-2,6-Dimethylpiperazine; cis-2,6-Dimethylpiperazine 98+%; 顺-2,6-二甲基哌嗪

Database IDs

• CAS Number: 108-49-6; 21655-48-1
• EC Number: 203-588-9
• MDL Number: MFCD07772435; MFCD00005956
• Beilstein Number: 79881
• PubChem SID: 162076396
• PubChem CID: 6950261

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; 108-111°C
• Boiling Point: 162°C; 162°C
• Flash Point: 45°C; 45°C(113°F)

Safety Information

• Storage Warning: Flammable/Irritant/Light Sensitive/Hygroscopic; Light Sensitive & Hygroscopic
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1325
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95+%; 99+%