4-fluorobenzene-1-carboximidamide

• ChemBase ID: 169082
• Molecular Formular: C7H7FN2
• Molecular Mass: 138.1422832
• Monoisotopic Mass: 138.05932645
• SMILES: c1cc(ccc1C(=N)N)F
• Canonical SMILES: NC(=N)c1ccc(cc1)F
• InChI: InChI=1S/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
• InChIKey: OSTGTIZRQZOYAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorobenzene-1-carboximidamide
• IUPAC Traditional name: 4-fluorobenzenecarboximidamide
• Synonyms: 4-Fluorobenzamidine, Hydrochloride, Monohydrate; 4-fluorobenzenecarboximidamide

Database IDs

• CAS Number: 2339-59-5
• MDL Number: MFCD01076313
• PubChem SID: 162263214
• PubChem CID: 4295238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3789363
• LogD (pH = 7.4): -1.3706815
• Log P: 1.0364162
• Molar Refractivity: 47.9469 cm^3
• Polarizability: 13.690834 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid
• Melting Point: 213-215°C

Safety Information

• Storage Condition: -20°C Freezer