2-(3-methoxyphenoxy)ethanimidamide

• ChemBase ID: 307290
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=N)(COc1cc(OC)ccc1)N
• Canonical SMILES: COc1cccc(c1)OCC(=N)N
• InChI: InChI=1S/C9H12N2O2/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
• InChIKey: XGMBNYJZJKRHOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)ethanimidamide
• IUPAC Traditional name: 2-(3-methoxyphenoxy)ethanimidamide
• Synonyms: 2-(3-methoxyphenoxy)ethanimidamide

Database IDs

• CAS Number: 806634-36-6
• MDL Number: MFCD07801140

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0091221
• LogD (pH = 7.4): -1.6386005
• Log P: 0.39877215
• Molar Refractivity: 59.4853 cm^3
• Polarizability: 19.073101 Å^3
• Polar Surface Area: 68.33 Å^2