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

• ChemBase ID: 76032
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: O(c1nc(cnc1)C)c1cc(ccc1)CNC
• Canonical SMILES: CNCc1cccc(c1)Oc1cncc(n1)C
• InChI: InChI=1S/C13H15N3O/c1-10-7-15-9-13(16-10)17-12-5-3-4-11(6-12)8-14-2/h3-7,9,14H,8H2,1-2H3
• InChIKey: RCWJJFNDMQYPQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 912569-66-5
• MDL Number: MFCD09817528
• PubChem SID: 162040950
• PubChem CID: 24229685

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8451241
• LogD (pH = 7.4): -0.7224303
• Log P: 1.3223647
• Molar Refractivity: 66.138 cm^3
• Polarizability: 25.840172 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: 97%