1-(oxolane-2-carbonyl)piperazine

• ChemBase ID: 91262
• Molecular Formular: C9H16N2O2
• Molecular Mass: 184.23554
• Monoisotopic Mass: 184.12117776
• SMILES: O1C(CCC1)C(=O)N1CCNCC1
• Canonical SMILES: O=C(N1CCNCC1)C1CCCO1
• InChI: InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
• InChIKey: UKESBLFBQANJHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolane-2-carbonyl)piperazine
• IUPAC Traditional name: 1-(oxolane-2-carbonyl)piperazine
• Synonyms: 1-(2-Tetrahydrofuroyl)piperazine 97%; 1-(2-Tetrahydrofuroyl)piperazine; Piperazin-1-yl(tetrahydrofuran-2-yl)methanone; 1-(TETRAHYDRO-2-FUROYL)PIPERAZINE; 1-(2-四氢糠酰基)哌嗪

Database IDs

• CAS Number: 63074-07-7
• EC Number: 000-000-0
• MDL Number: MFCD00190247
• Beilstein Number: 880578
• PubChem SID: 162077966
• PubChem CID: 2734641

CALCULATED PROPERTIES

• Acid pKa: 19.929665
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9500055
• LogD (pH = 7.4): -1.2359744
• Log P: -0.67523235
• Molar Refractivity: 48.7544 cm^3
• Polarizability: 19.298449 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 116-118°C; 120-125°C/0.2mm

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%; 98%