3,4-dichlorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 269966
• Molecular Formular: C7H7Cl3N2
• Molecular Mass: 225.50288
• Monoisotopic Mass: 223.96748127
• SMILES: C(=N)(c1cc(c(cc1)Cl)Cl)N.Cl
• Canonical SMILES: NC(=N)c1ccc(c(c1)Cl)Cl.Cl
• InChI: InChI=1S/C7H6Cl2N2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3H,(H3,10,11);1H
• InChIKey: BMKBQAJRZBGARG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichlorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 3,4-dichlorobenzenecarboximidamide hydrochloride
• Synonyms: 3,4-dichlorobenzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD22369995
• PubChem SID: 164325876
• PubChem CID: 12301246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.31332624
• LogD (pH = 7.4): -0.2882808
• Log P: 2.1018035
• Molar Refractivity: 57.3401 cm^3
• Polarizability: 17.830557 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 - 224°C
• Hydrophobicity(logP): 2.159

Product Information

• Purity: 95%