piperazine hydrate dihydrochloride

• ChemBase ID: 151218
• Molecular Formular: C4H14Cl2N2O
• Molecular Mass: 177.07276
• Monoisotopic Mass: 176.04831844
• SMILES: C1CNCCN1.O.Cl.Cl
• Canonical SMILES: N1CCNCC1.O.Cl.Cl
• InChI: InChI=1S/C4H10N2.2ClH.H2O/c1-2-6-4-3-5-1;;;/h5-6H,1-4H2;2*1H;1H2
• InChIKey: ZQVBNUIFDLXAFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine hydrate dihydrochloride
• IUPAC Traditional name: piperazine hydrate dihydrochloride
• Synonyms: Piperazine dihydrochloride hydrate; Piperazine dihydrochloride monohydrate; 哌嗪 二盐酸盐 水合物; 哌嗪二盐酸盐单水合物

Database IDs

• CAS Number: 6091-62-9; 207605-49-0
• EC Number: 205-551-2
• MDL Number: MFCD00150089
• Beilstein Number: 3551215
• PubChem SID: 162245375; 24857184
• PubChem CID: 12197850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.077815
• LogD (pH = 7.4): -2.859133
• Log P: -0.72880685
• Molar Refractivity: 25.4488 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: TL4025000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-42/43; 36/38-42/43-62-52/53-63
• Safety Statements: 22-26-36/37; 22-36/37-45-61-63
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H319-H334-H335; H334-H315-H319-H317-H361-H402-H412
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311; P285-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥97.0% (AT); 98%
• Grade: purum
• Impurities: ≤12% water
• Empirical Formula (Hill Notation): C4H10N2 · 2HCl · xH2O

DETAILS

Sigma Aldrich - 284904

Packaging
250 g in glass bottle