2-(4-methoxyphenoxy)ethanimidamide

• ChemBase ID: 35405
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=N)(COc1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)OCC(=N)N
• InChI: InChI=1S/C9H12N2O2/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
• InChIKey: ZAVSPGJDAHKCPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)ethanimidamide
• IUPAC Traditional name: 2-(4-methoxyphenoxy)ethanimidamide
• Synonyms: 2-(4-Methoxyphenoxy)ethanimidamide

Database IDs

• CAS Number: 133915-35-2
• MDL Number: MFCD08059925
• PubChem SID: 160998712
• PubChem CID: 10654955

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.009123
• LogD (pH = 7.4): -1.638627
• Log P: 0.39877215
• Molar Refractivity: 59.4853 cm^3
• Polarizability: 19.07219 Å^3
• Polar Surface Area: 68.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false