1-methylpiperazine dihydrochloride

• ChemBase ID: 147079
• Molecular Formular: C5H14Cl2N2
• Molecular Mass: 173.08406
• Monoisotopic Mass: 172.05340382
• SMILES: CN1CCNCC1.Cl.Cl
• Canonical SMILES: CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C5H12N2.2ClH/c1-7-4-2-6-3-5-7;;/h6H,2-5H2,1H3;2*1H
• InChIKey: AILFRWRYZZVJTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperazine dihydrochloride
• IUPAC Traditional name: piperazine, 1-methyl- dihydrochloride
• Synonyms: 1-Methylpiperazine dihydrochloride; 1-甲基哌嗪 二盐酸盐

Database IDs

• CAS Number: 34352-59-5
• MDL Number: MFCD00012755
• PubChem SID: 24856832; 162241270
• PubChem CID: 2734715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7431488
• LogD (pH = 7.4): -2.3915062
• Log P: -0.3457589
• Molar Refractivity: 30.7435 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 246-250 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 23/24/25-36/37/38
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C5H12N2 · 2HCl

DETAILS

Sigma Aldrich - 278793

Packaging
100 g in glass bottle
25 g in poly bottle