2-(4-propoxyphenyl)ethanimidamide hydrochloride

• ChemBase ID: 243319
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: C(=N)(Cc1ccc(cc1)OCCC)N.Cl
• Canonical SMILES: CCCOc1ccc(cc1)CC(=N)N.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13;/h3-6H,2,7-8H2,1H3,(H3,12,13);1H
• InChIKey: DRVHEBXOJWQPSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00813774
• PubChem SID: 164299229
• PubChem CID: 2842473

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8199028
• LogD (pH = 7.4): -0.8185503
• Log P: 1.5955387
• Molar Refractivity: 67.5177 cm^3
• Polarizability: 22.073542 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 1.481

Product Information

• Purity: 95%