2-(piperazin-1-yl)pyrazine hydrochloride

• ChemBase ID: 30790
• Molecular Formular: C8H13ClN4
• Molecular Mass: 200.66862
• Monoisotopic Mass: 200.08287412
• SMILES: N1(c2nccnc2)CCNCC1.Cl
• Canonical SMILES: N1CCN(CC1)c1nccnc1.Cl
• InChI: InChI=1S/C8H12N4.ClH/c1-2-11-8(7-10-1)12-5-3-9-4-6-12;/h1-2,7,9H,3-6H2;1H
• InChIKey: OTDNHTMVWNAZKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)pyrazine hydrochloride
• IUPAC Traditional name: 2-(piperazin-1-yl)pyrazine hydrochloride
• Synonyms: 3,4,5,6-Tetrahydro-2H-[1,2']bipyrazinyl hydrochloride; 2-piperazin-1-ylpyrazine hydrochloride

Database IDs

• CAS Number: 34803-68-4
• MDL Number: MFCD08692031
• PubChem SID: 160994097
• PubChem CID: 12200486

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

• Hydrophobicity(logP): -0.632

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl