2-chlorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 268516
• Molecular Formular: C7H8Cl2N2
• Molecular Mass: 191.05782
• Monoisotopic Mass: 190.00645363
• SMILES: c1(C(=N)N)c(Cl)cccc1.Cl
• Canonical SMILES: NC(=N)c1ccccc1Cl.Cl
• InChI: InChI=1S/C7H7ClN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
• InChIKey: KVMVAFKWEWLDPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chlorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2-chlorobenzenecarboximidamide hydrochloride
• Synonyms: 2-chlorobenzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD00275607
• PubChem SID: 164324426
• PubChem CID: 2740917

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.91582006
• LogD (pH = 7.4): -0.78926647
• Log P: 1.497759
• Molar Refractivity: 52.5353 cm^3
• Polarizability: 15.897959 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 277 - 279°C
• Hydrophobicity(logP): 1.512

Product Information

• Purity: 95%