2-methyl-4-(pyrazin-2-yloxy)aniline

• ChemBase ID: 258053
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(c(ccc(c1)Oc1nccnc1)N)C
• Canonical SMILES: Nc1ccc(cc1C)Oc1cnccn1
• InChI: InChI=1S/C11H11N3O/c1-8-6-9(2-3-10(8)12)15-11-7-13-4-5-14-11/h2-7H,12H2,1H3
• InChIKey: CIFRUDXIMWQHRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(pyrazin-2-yloxy)aniline
• IUPAC Traditional name: 2-methyl-4-(pyrazin-2-yloxy)aniline
• Synonyms: 2-methyl-4-(pyrazin-2-yloxy)aniline

Database IDs

• MDL Number: MFCD09043587
• PubChem SID: 164313963
• PubChem CID: 16771289

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3087697
• LogD (pH = 7.4): 1.3170347
• Log P: 1.317141
• Molar Refractivity: 58.0401 cm^3
• Polarizability: 21.769714 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 1.008

Product Information

• Purity: 95%