4-methoxybenzene-1-carboximidamide hydrochloride

• ChemBase ID: 172880
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: c1c(ccc(c1)C(=N)N)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C(=N)N.Cl
• InChI: InChI=1S/C8H10N2O.ClH/c1-11-7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H3,9,10);1H
• InChIKey: AJOSDIDPIBJFAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-methoxybenzenecarboximidamide hydrochloride
• Synonyms: 4-Methoxy-benzenecarboximidamide Hydrochloride; 4-Anisamidine Hydrochloride; 4-Methoxybenzenecarboximidamide Hydrochloride; 4-Methoxybenzamidine Hydrochloride; 4-methoxybenzene-1-carboximidamide hydrochloride; 4-METHOXYBENZAMIDINE, HYDROCHLORIDE

Database IDs

• CAS Number: 51721-68-7
• MDL Number: MFCD00466114
• PubChem SID: 164228790
• PubChem CID: 12326219

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6793636
• LogD (pH = 7.4): -1.6752928
• Log P: 0.73604304
• Molar Refractivity: 54.1937 cm^3
• Polarizability: 16.53411 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Off-White Crystalline Solid
• Melting Point: 218-220°C; 219 - 221°C
• Hydrophobicity(logP): 0.707

Product Information

• Purity: 95%; 98%