{3-[(6-methylpyrazin-2-yl)oxy]phenyl}methanamine

• ChemBase ID: 77440
• Molecular Formular: C12H13N3O
• Molecular Mass: 215.25112
• Monoisotopic Mass: 215.10586205
• SMILES: NCc1cc(ccc1)Oc1nc(cnc1)C
• Canonical SMILES: NCc1cccc(c1)Oc1cncc(n1)C
• InChI: InChI=1S/C12H13N3O/c1-9-7-14-8-12(15-9)16-11-4-2-3-10(5-11)6-13/h2-5,7-8H,6,13H2,1H3
• InChIKey: PJVRJIDLKXDROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(6-methylpyrazin-2-yl)oxy]phenyl}methanamine
• IUPAC Traditional name: {3-[(6-methylpyrazin-2-yl)oxy]phenyl}methanamine
• Synonyms: 3-[(6-methylpyrazin-2-yl)oxy]benzylamine; 3-[(6-Methylpyrazin-2-yl)oxy]benzylamine 97%

Database IDs

• CAS Number: 941716-89-8
• MDL Number: MFCD09817526
• PubChem SID: 162042312
• PubChem CID: 24229681

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0848255
• LogD (pH = 7.4): -1.0521303
• Log P: 0.8897843
• Molar Refractivity: 61.3634 cm^3
• Polarizability: 23.99668 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Air Sensitive/Store under Argon

Product Information

• Purity: 90%