1,4-dimethylpiperazine-2,5-dione

• ChemBase ID: 104610
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: CN1CC(=O)N(C)CC1=O
• Canonical SMILES: CN1CC(=O)N(CC1=O)C
• InChI: InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3
• InChIKey: PKDGRAULLDDTRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethylpiperazine-2,5-dione
• IUPAC Traditional name: 1,4-dimethylpiperazine-2,5-dione
• Synonyms: 1,4-Dimethyl-2,5-piperazinedione; Sarcosine anhydride; 1,4-Dimethylpiperazine-2,5-dione; 1,4-Dimethyl-2,5-dioxopiperazine; SARCOSINE ANHYDRIDE; 1,4-DIMETHYL-2,5-DIKETOPIPERAZINE; 1,4-二甲基-2,5-哌嗪二酮; 肌氨酸酐

Database IDs

• CAS Number: 5076-82-4
• EC Number: 225-788-5
• MDL Number: MFCD00006519
• Beilstein Number: 123513
• PubChem SID: 162091905
• PubChem CID: 78761

CALCULATED PROPERTIES

• Acid pKa: 19.13027
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.7632143
• LogD (pH = 7.4): -1.7632143
• Log P: -1.7632143
• Molar Refractivity: 35.4004 cm^3
• Polarizability: 13.547892 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-147°C; 144-147 °C(lit.)

Safety Information

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

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C6H10N2O2

DETAILS

MP Biomedicals - 02156584

White to light yellow crystals.

MP Biomedicals - 05217925

MP Biomedicals Rare Chemical collection