{4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanamine

• ChemBase ID: 77441
• Molecular Formular: C12H13N3O
• Molecular Mass: 215.25112
• Monoisotopic Mass: 215.10586205
• SMILES: O(c1nc(cnc1)C)c1ccc(cc1)CN
• Canonical SMILES: NCc1ccc(cc1)Oc1cncc(n1)C
• InChI: InChI=1S/C12H13N3O/c1-9-7-14-8-12(15-9)16-11-4-2-10(6-13)3-5-11/h2-5,7-8H,6,13H2,1H3
• InChIKey: JNWHMYUBZLJKJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanamine
• IUPAC Traditional name: {4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanamine
• Synonyms: 4-[(6-Methylpyrazin-2-yl)oxy]benzylamine 97%; 4-[(6-methylpyrazin-2-yl)oxy]benzylamine

Database IDs

• CAS Number: 926921-67-7
• MDL Number: MFCD09879937
• PubChem SID: 162042313
• PubChem CID: 24229693

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.094748
• LogD (pH = 7.4): -1.1295497
• Log P: 0.8897843
• Molar Refractivity: 61.3634 cm^3
• Polarizability: 23.99665 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%