3-ethoxypyrazin-2-amine

• ChemBase ID: 66805
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1(c(nccn1)OCC)N
• Canonical SMILES: CCOc1nccnc1N
• InChI: InChI=1S/C6H9N3O/c1-2-10-6-5(7)8-3-4-9-6/h3-4H,2H2,1H3,(H2,7,8)
• InChIKey: ZULCYKWRRGZJJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypyrazin-2-amine
• IUPAC Traditional name: 3-ethoxypyrazin-2-amine
• Synonyms: 2-Amino-3-ethoxypyrazine

Database IDs

• CAS Number: 89464-86-8
• MDL Number: MFCD08460065
• PubChem SID: 162032541
• PubChem CID: 13416935

CALCULATED PROPERTIES

• Acid pKa: 17.657005
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.09690687
• LogD (pH = 7.4): 0.097025245
• Log P: 0.09702676
• Molar Refractivity: 38.2834 cm^3
• Polarizability: 14.064778 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%