2-(4-methoxyphenyl)ethanimidamide hydrochloride

• ChemBase ID: 813555
• Molecular Formular: C9H13ClN2O
• Molecular Mass: 200.66532
• Monoisotopic Mass: 200.07164073
• SMILES: Cl.C(=N)(Cc1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)CC(=N)N.Cl
• InChI: InChI=1S/C9H12N2O.ClH/c1-12-8-4-2-7(3-5-8)6-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
• InChIKey: LOJFRHBZDMXJPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(4-methoxyphenyl)ethanimidamide hydrochloride
• Synonyms: 2-(4-METHOXYPHENYL)ETHANIMIDAMIDE HYDROCHLORIDE

Database IDs

• CAS Number: 58125-01-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6992332
• LogD (pH = 7.4): -1.697883
• Log P: 0.7162084
• Molar Refractivity: 58.2451 cm^3
• Polarizability: 18.387043 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%