2-tert-butylpyrazine

• ChemBase ID: 295311
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CC(C)(C)c1cnccn1
• Canonical SMILES: CC(c1nccnc1)(C)C
• InChI: InChI=1S/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4-6H,1-3H3
• InChIKey: YNQZVOWNJKASKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylpyrazine
• IUPAC Traditional name: 2-tert-butylpyrazine
• Synonyms: 2-tert-Butylpyrazine; 2-叔-丁基吡嗪

Database IDs

• CAS Number: 32741-11-0
• EC Number: 251-186-7
• MDL Number: MFCD00069193
• PubChem SID: 180680842
• PubChem CID: 122943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.468795
• LogD (pH = 7.4): 1.4688075
• Log P: 1.4688076
• Molar Refractivity: 40.0381 cm^3
• Polarizability: 15.824958 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.96

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%