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

• ChemBase ID: 77448
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: O(c1nc(cnc1)C)c1ccc(cc1)CNC
• Canonical SMILES: CNCc1ccc(cc1)Oc1cncc(n1)C
• InChI: InChI=1S/C13H15N3O/c1-10-7-15-9-13(16-10)17-12-5-3-11(4-6-12)8-14-2/h3-7,9,14H,8H2,1-2H3
• InChIKey: DAHTXAIQFDPRFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({4-[(6-methylpyrazin-2-yl)oxy]phenyl}methyl)amine
• IUPAC Traditional name: methyl({4-[(6-methylpyrazin-2-yl)oxy]phenyl}methyl)amine
• Synonyms: N-methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine; N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine; 2-Methyl-6-{4-[(methylamino)methyl]phenoxy}pyrazine 95%

Database IDs

• CAS Number: 912569-67-6
• MDL Number: MFCD09817536
• PubChem SID: 162042320
• PubChem CID: 24229697

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8548899
• LogD (pH = 7.4): -0.7834582
• Log P: 1.3223647
• Molar Refractivity: 66.138 cm^3
• Polarizability: 25.840141 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%