2-methylpiperazine

• ChemBase ID: 69365
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: N1C(CNCC1)C
• Canonical SMILES: CC1CNCCN1
• InChI: InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3
• InChIKey: JOMNTHCQHJPVAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpiperazine
• IUPAC Traditional name: piperazine, 2-methyl-
• Synonyms: 2-Methylpiperazine; (±)-2-Methylpiperazine; 2-Methylpiperazine; 2-甲基哌嗪; (+/-)-2-甲基哌嗪

Database IDs

• CAS Number: 109-07-9
• EC Number: 203-644-2
• MDL Number: MFCD00005954
• Beilstein Number: 383566
• PubChem SID: 24897146; 162035091
• PubChem CID: 66057

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -3.7167857
• LogD (pH = 7.4): -2.5283473
• Log P: -0.3122318
• Molar Refractivity: 29.8676 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 61-63 °C; 61-63 °C(lit.); 61-63°C; 62-66°C
• Boiling Point: 153°C; 155 °C/763 mmHg(lit.); 155-156°C
• Flash Point: 149 °F; 65 °C; 65°C; 65°C(149°F)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive & Hygroscopic; Flammable/Corrosive/Hygroscopic; IRRITANT
• RTECS: TM1225020
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 1325; UN2925
• German water hazard class: 2
• Hazard Class: 4.1
• Packing Group: 2; III
• Risk Statements: 11-34; 11-36/37/38
• Safety Statements: 16-26-36/37/39; 16-26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335; H314-H318-H228
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P210-P280-P303+P361+P353-P305+P351+P338-P310
• Personal Protective Equipment: 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: ~94%; ≥98.0% (GC); 95%; 95+%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C5H12N2

DETAILS

MP Biomedicals - 05216144

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151668

Purity: ~94%
Crystalline

Sigma Aldrich - M72404

Packaging
100 g in glass bottle