piperazine-2,5-dione

• ChemBase ID: 87103
• Molecular Formular: C4H6N2O2
• Molecular Mass: 114.10264
• Monoisotopic Mass: 114.04292744
• SMILES: N1C(=O)CNC(=O)C1
• Canonical SMILES: O=C1NCC(=O)NC1
• InChI: InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
• InChIKey: BXRNXXXXHLBUKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-2,5-dione
• IUPAC Traditional name: 2,5-piperazinedione
• Synonyms: 2,5-Dioxopiperazine; Glycine anhydride; Piperazine-2,5-dione; 2,5-Diketopiperazine; 2,5-Piperazinedione; GLYCINE ANHYDRIDE; Glycine anhydride; 2,5-DIKETOPIPERAZINE; 2,5-二酮哌嗪; 2,5-哌嗪二酮; 甘氨酸酐

Database IDs

• CAS Number: 106-57-0
• EC Number: 203-411-5
• MDL Number: MFCD00006009
• Beilstein Number: 112112
• Merck Index: 147466
• PubChem SID: 24873334; 24895298; 162074219
• PubChem CID: 7817

CALCULATED PROPERTIES

• Acid pKa: 10.892182
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.210568
• LogD (pH = 7.4): -2.2106903
• Log P: -2.2105665
• Molar Refractivity: 25.607 cm^3
• Polarizability: 9.922667 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C; ca 300°C dec.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: TL6325250
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (N); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C4H6N2O2
• Classification: Derivatives & analogs of Natural Compounds

DETAILS

MP Biomedicals - 05206035

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101824

Crystalline

Sigma Aldrich - G7251

包装
1 kg in poly bottle
25, 100 g in poly bottle