2-(4-fluorophenyl)ethanimidamide hydrochloride

• ChemBase ID: 98564
• Molecular Formular: C8H10ClFN2
• Molecular Mass: 188.6298032
• Monoisotopic Mass: 188.05165423
• SMILES: N=C(Cc1ccc(cc1)F)N.Cl
• Canonical SMILES: NC(=N)Cc1ccc(cc1)F.Cl
• InChI: InChI=1S/C8H9FN2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
• InChIKey: JFOGGGJTYUPBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(4-fluorophenyl)ethanimidamide hydrochloride
• Synonyms: 2-(4-Fluorophenyl)ethanimidamide hydrochloride; 2-(4-Fluorophenyl)acetamidine hydrochloride; 2-(4-fluorophenyl)ethanimidamide hydrochloride

Database IDs

• CAS Number: 6437-40-7
• MDL Number: MFCD06761715
• PubChem SID: 162084970
• PubChem CID: 17221602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3988588
• LogD (pH = 7.4): -1.3974185
• Log P: 1.0165817
• Molar Refractivity: 51.9983 cm^3
• Polarizability: 15.533991 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): 0.647

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%