2-(4-methoxyphenoxy)ethanimidamide hydrochloride

• ChemBase ID: 239624
• Molecular Formular: C9H13ClN2O2
• Molecular Mass: 216.66472
• Monoisotopic Mass: 216.06655535
• SMILES: C(=N)(COc1ccc(cc1)OC)N.Cl
• Canonical SMILES: COc1ccc(cc1)OCC(=N)N.Cl
• InChI: InChI=1S/C9H12N2O2.ClH/c1-12-7-2-4-8(5-3-7)13-6-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
• InChIKey: VCJGAACYPNNQAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13186109
• PubChem SID: 164295534
• PubChem CID: 13430821

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

Physical Property

• Hydrophobicity(logP): 0.57

Product Information

• Purity: 95%