piperazine-1,4-dicarbaldehyde

• ChemBase ID: 149418
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: C1CN(CCN1C=O)C=O
• Canonical SMILES: O=CN1CCN(CC1)C=O
• InChI: InChI=1S/C6H10N2O2/c9-5-7-1-2-8(6-10)4-3-7/h5-6H,1-4H2
• InChIKey: CBLGQEBXWDKYDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-1,4-dicarbaldehyde
• IUPAC Traditional name: piperazine-1,4-dicarbaldehyde
• Synonyms: 1,4-Diformylpiperazine; 1,4-Piperazinedicarboxaldehyde; 1,4-Piperazinedicarboxaldehyde; 1,4-Diformylpiperazine; 1,4-二甲酰基哌嗪; 1,4-吡嗪二羧醛; 1,4-二甲酰基哌嗪

Database IDs

• CAS Number: 4164-39-0
• EC Number: 224-011-7
• MDL Number: MFCD00006153
• Beilstein Number: 121175
• PubChem SID: 162243583; 24848969
• PubChem CID: 77821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.6063198
• LogD (pH = 7.4): -1.6063197
• Log P: -1.6063197
• Molar Refractivity: 35.5996 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: 126-129 °C(lit.); 126-129°C
• Boiling Point: 154°C/0.25mm

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 98+%
• Empirical Formula (Hill Notation): C6H10N2O2

DETAILS

Sigma Aldrich - 149772

Packaging
25 g in glass bottle