8-chloro-2-ethylimidazo[1,2-a]pyrazine

• ChemBase ID: 63910
• Molecular Formular: C8H8ClN3
• Molecular Mass: 181.62222
• Monoisotopic Mass: 181.04067495
• SMILES: c12n(cc(n1)CC)ccnc2Cl
• Canonical SMILES: CCc1cn2c(n1)c(Cl)ncc2
• InChI: InChI=1S/C8H8ClN3/c1-2-6-5-12-4-3-10-7(9)8(12)11-6/h3-5H,2H2,1H3
• InChIKey: VLICETQWBPEXNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-ethylimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 8-chloro-2-ethylimidazo[1,2-a]pyrazine
• Synonyms: 8-Chloro-2-ethylimidazol[1,2-a]pyrazine

Database IDs

• CAS Number: 391954-17-9
• MDL Number: MFCD10699213
• PubChem SID: 162029649
• PubChem CID: 12074079

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1450455
• LogD (pH = 7.4): 1.1972936
• Log P: 1.1980048
• Molar Refractivity: 48.864 cm^3
• Polarizability: 17.991728 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%