piperazine-2,6-dione hydrochloride

• ChemBase ID: 283221
• Molecular Formular: C4H7ClN2O2
• Molecular Mass: 150.56358
• Monoisotopic Mass: 150.01960515
• SMILES: N1C(=O)CNCC1=O.Cl
• Canonical SMILES: O=C1CNCC(=O)N1.Cl
• InChI: InChI=1S/C4H6N2O2.ClH/c7-3-1-5-2-4(8)6-3;/h5H,1-2H2,(H,6,7,8);1H
• InChIKey: PRECVFCPUGFXKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-2,6-dione hydrochloride
• IUPAC Traditional name: piperazine-2,6-dione hydrochloride
• Synonyms: piperazine-2,6-dione hydrochloride

Database IDs

• MDL Number: MFCD17392879
• PubChem SID: 180668752
• PubChem CID: 12476478

CALCULATED PROPERTIES

• Acid pKa: 11.504244
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8573724
• LogD (pH = 7.4): -1.8322645
• Log P: -1.8319005
• Molar Refractivity: 25.607 cm^3
• Polarizability: 10.275481 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.126

Product Information

• Purity: 95%