piperazine hexahydrate

• ChemBase ID: 111066
• Molecular Formular: C4H22N2O6
• Molecular Mass: 194.22728
• Monoisotopic Mass: 194.14778643
• SMILES: O.O.O.O.O.O.C1CNCCN1
• Canonical SMILES: N1CCNCC1.O.O.O.O.O.O
• InChI: InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2
• InChIKey: AVRVZRUEXIEGMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine hexahydrate
• IUPAC Traditional name: piperazine hexahydrate
• Synonyms: Anthalazine; PIPERAZINE HEXAHYDRATE; Piperazine hexahydrate; 哌嗪六水合物; 哌嗪 六水合物

Database IDs

• CAS Number: 142-63-2
• EC Number: 203-808-3
• MDL Number: MFCD00149389
• Beilstein Number: 4455527
• Merck Index: 147464
• PubChem SID: 162096587; 24898811
• PubChem CID: 120181

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: 42-44 °C; 42-44 °C(lit.); 42-46°C; 44°C
• Boiling Point: 125-130°C; 145-156 °C(lit.)
• Flash Point: >100°C(212°F); 190 °F; 190.4 °F; 88 °C
• Vapor Pressure: 0.8 mmHg ( 20 °C)

Safety Information

• RTECS: TM0850000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 2579; UN2579
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34-42/43-52/53; 34-42/43-62-63; 63-34-42/43-62; R:34
• Safety Statements: 22-26-36/37/39-45; 22-26-36/37/39-45-61; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317-H334-H361fd; H334-H317-H361-H314-H318
• GHS Precautionary statements: P260-P280-P303+P361+P353-P305+P351+P338-P310; P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2579 8/PG 3

Product Information

• Purity: ≥98.0% (T); ≥99% (TLC); 98%
• Grade: purum
• Empirical Formula (Hill Notation): C4H10N2 · 6H2O

DETAILS

MP Biomedicals - 05217587

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P7003

包装
1 kg in poly bottle
200 g in poly bottle