2-(2-methylpropyl)pyrazine

• ChemBase ID: 295153
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CC(C)Cc1cnccn1
• Canonical SMILES: CC(Cc1nccnc1)C
• InChI: InChI=1S/C8H12N2/c1-7(2)5-8-6-9-3-4-10-8/h3-4,6-7H,5H2,1-2H3
• InChIKey: YAIMUUJMEBJXAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)pyrazine
• IUPAC Traditional name: 2-isobutylpyrazine
• Synonyms: 2-Isobutylpyrazine; 7-氟苯呋咱-4-磺酰胺

Database IDs

• CAS Number: 29460-92-2
• EC Number: 249-647-2
• MDL Number: MFCD00156150
• PubChem SID: 180680684
• PubChem CID: 34591

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1013736
• LogD (pH = 7.4): 1.1013944
• Log P: 1.1013948
• Molar Refractivity: 40.1122 cm^3
• Polarizability: 15.825881 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4875

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%