2-(2-chlorophenoxy)ethanimidamide hydrochloride

• ChemBase ID: 30506
• Molecular Formular: C8H10Cl2N2O
• Molecular Mass: 221.0838
• Monoisotopic Mass: 220.01701831
• SMILES: C(=N)(COc1c(Cl)cccc1)N.Cl
• Canonical SMILES: NC(=N)COc1ccccc1Cl.Cl
• InChI: InChI=1S/C8H9ClN2O.ClH/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
• InChIKey: WPWKAEFYVGWTAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenoxy)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(2-chlorophenoxy)ethanimidamide hydrochloride
• Synonyms: 2-(2-Chloro-phenoxy)-acetamidine hydrochloride; 2-(2-Chlorophenoxy)ethanimidamide hydrochloride; 2-Chlorophenoxyacetamidine hydrochloride; 2-(2-chlorophenoxy)ethanimidamide hydrochloride

Database IDs

• CAS Number: 58403-03-5
• MDL Number: MFCD00173805
• PubChem SID: 160993813
• PubChem CID: 2745914

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2473794
• LogD (pH = 7.4): -0.8759877
• Log P: 1.1604881
• Molar Refractivity: 57.8269 cm^3
• Polarizability: 18.455538 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165-167°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%