2-(piperazin-1-yl)pyrazine

• ChemBase ID: 87689
• Molecular Formular: C8H12N4
• Molecular Mass: 164.20768
• Monoisotopic Mass: 164.1061964
• SMILES: N1(c2cnccn2)CCNCC1
• Canonical SMILES: N1CCN(CC1)c1nccnc1
• InChI: InChI=1S/C8H12N4/c1-2-11-8(7-10-1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2
• InChIKey: HCGFLVDMFDHYJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2-(piperazin-1-yl)pyrazine
• Synonyms: 1-(Pyrazin-2-yl)piperazine 98%; 2-piperazin-1-ylpyrazine; 2-(piperazin-1-yl)pyrazine

Database IDs

• CAS Number: 34803-68-4
• MDL Number: MFCD00040766
• PubChem SID: 162074729
• PubChem CID: 2734639

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2340548
• LogD (pH = 7.4): -1.6463001
• Log P: -0.295526
• Molar Refractivity: 47.2417 cm^3
• Polarizability: 17.838089 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Boiling Point: 105-108°C/0.5mm
• Hydrophobicity(logP): -0.632

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%