2,3-dimethyl-5-(propan-2-yl)pyrazine

• ChemBase ID: 287058
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: Cc1nc(C(C)C)cnc1C
• Canonical SMILES: CC(c1cnc(c(n1)C)C)C
• InChI: InChI=1S/C9H14N2/c1-6(2)9-5-10-7(3)8(4)11-9/h5-6H,1-4H3
• InChIKey: JTIYGJBEUZEJAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-5-(propan-2-yl)pyrazine
• IUPAC Traditional name: 5-isopropyl-2,3-dimethylpyrazine
• Synonyms: 5-Isopropyl-2,3-dimethylpyrazine

Database IDs

• CAS Number: 40790-21-4
• MDL Number: MFCD06200808
• PubChem SID: 180672589
• PubChem CID: 528109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1754518
• LogD (pH = 7.4): 1.1755326
• Log P: 1.1755337
• Molar Refractivity: 44.7201 cm^3
• Polarizability: 17.514275 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%