2-ethoxypyrazine

• ChemBase ID: 296032
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: C(C)Oc1nccnc1
• Canonical SMILES: CCOc1cnccn1
• InChI: InChI=1S/C6H8N2O/c1-2-9-6-5-7-3-4-8-6/h3-5H,2H2,1H3
• InChIKey: ATIUKJHILQVQLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypyrazine
• IUPAC Traditional name: 2-ethoxypyrazine
• Synonyms: 2-Ethoxypyrazine; 2-乙氧基哌嗪

Database IDs

• CAS Number: 38028-67-0
• EC Number: 253-750-8
• MDL Number: MFCD00014609
• PubChem SID: 180681563
• PubChem CID: 2758778

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.33149266
• LogD (pH = 7.4): 0.33149514
• Log P: 0.3314952
• Molar Refractivity: 33.2695 cm^3
• Polarizability: 12.907202 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%