6-(benzyloxy)pyrazin-2-amine

• ChemBase ID: 802301
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1c(nc(cn1)OCc1ccccc1)N
• Canonical SMILES: Nc1cncc(n1)OCc1ccccc1
• InChI: InChI=1S/C11H11N3O/c12-10-6-13-7-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,14)
• InChIKey: ZSRANPPJBKMMSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(benzyloxy)pyrazin-2-amine
• IUPAC Traditional name: 6-(benzyloxy)pyrazin-2-amine
• Synonyms: 6-(BENZYLOXY)PYRAZIN-2-AMINE

Database IDs

• CAS Number: 126993-72-4

CALCULATED PROPERTIES

• Acid pKa: 19.556946
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4646871
• LogD (pH = 7.4): 1.4646919
• Log P: 1.4646919
• Molar Refractivity: 58.1474 cm^3
• Polarizability: 21.787188 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%