2-(3-methoxyphenyl)ethanimidamide hydrochloride

• ChemBase ID: 265414
• Molecular Formular: C9H13ClN2O
• Molecular Mass: 200.66532
• Monoisotopic Mass: 200.07164073
• SMILES: C(=N)(Cc1cc(OC)ccc1)N.Cl
• Canonical SMILES: COc1cccc(c1)CC(=N)N.Cl
• InChI: InChI=1S/C9H12N2O.ClH/c1-12-8-4-2-3-7(5-8)6-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
• InChIKey: JQEULXLHQMAHAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(3-methoxyphenyl)ethanimidamide hydrochloride
• Synonyms: 2-(3-methoxyphenyl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD06761713
• PubChem SID: 164321324
• PubChem CID: 18938945

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6992302
• LogD (pH = 7.4): -1.6976477
• Log P: 0.7162084
• Molar Refractivity: 58.2451 cm^3
• Polarizability: 18.38707 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 0.423

Product Information

• Purity: 95%