2-(4-methoxyphenyl)ethanimidamide

• ChemBase ID: 307228
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=N)(Cc1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)CC(=N)N
• InChI: InChI=1S/C9H12N2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
• InChIKey: BHZLRLGEHGWOED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)ethanimidamide
• IUPAC Traditional name: 2-(4-methoxyphenyl)ethanimidamide
• Synonyms: 2-(4-methoxyphenyl)ethanimidamide

Database IDs

• CAS Number: 58125-01-2
• MDL Number: MFCD01552153

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