3-[(6-methylpyrazin-2-yl)oxy]aniline

• ChemBase ID: 76001
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: Nc1cc(ccc1)Oc1nc(cnc1)C
• Canonical SMILES: Nc1cccc(c1)Oc1cncc(n1)C
• InChI: InChI=1S/C11H11N3O/c1-8-6-13-7-11(14-8)15-10-4-2-3-9(12)5-10/h2-7H,12H2,1H3
• InChIKey: ZFDWDKWQAXTCSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(6-methylpyrazin-2-yl)oxy]aniline
• IUPAC Traditional name: 3-[(6-methylpyrazin-2-yl)oxy]aniline
• Synonyms: 3-[(6-methylpyrazin-2-yl)oxy]aniline; 3-[(6-Methylpyrazin-2-yl)oxy]aniline 97%

Database IDs

• CAS Number: 915707-61-8
• MDL Number: MFCD09702406
• PubChem SID: 162040919
• PubChem CID: 24229682

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9310902
• LogD (pH = 7.4): 0.9350393
• Log P: 0.9350899
• Molar Refractivity: 57.5904 cm^3
• Polarizability: 21.771788 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59.5-61°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%