2-(2,6-dichlorophenyl)ethanimidamide hydrochloride

• ChemBase ID: 89226
• Molecular Formular: C8H9Cl3N2
• Molecular Mass: 239.52946
• Monoisotopic Mass: 237.98313134
• SMILES: Clc1cccc(c1CC(=N)N)Cl.Cl
• Canonical SMILES: NC(=N)Cc1c(Cl)cccc1Cl.Cl
• InChI: InChI=1S/C8H8Cl2N2.ClH/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H
• InChIKey: YNPZJFKKDYCULJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)ethanimidamide hydrochloride
• Synonyms: 2,6-Dichlorophenylacetamidine hydrochloride 98%; 2-(2,6-dichlorophenyl)ethanimidamide hydrochloride

Database IDs

• CAS Number: 175276-76-3
• MDL Number: MFCD00053014
• PubChem SID: 162076108
• PubChem CID: 12690064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.33345425
• LogD (pH = 7.4): -0.3306778
• Log P: 2.081969
• Molar Refractivity: 61.3915 cm^3
• Polarizability: 19.645105 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 323°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%