2-(4-ethoxyphenoxy)ethanimidamide hydrochloride

• ChemBase ID: 240238
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=N)(COc1ccc(cc1)OCC)N.Cl
• Canonical SMILES: CCOc1ccc(cc1)OCC(=N)N.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12;/h3-6H,2,7H2,1H3,(H3,11,12);1H
• InChIKey: YCILJTGVCLEMDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11842497
• PubChem SID: 164296148
• PubChem CID: 45596408

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.652315
• LogD (pH = 7.4): -1.2818191
• Log P: 0.7555801
• Molar Refractivity: 64.2339 cm^3
• Polarizability: 20.910143 Å^3
• Polar Surface Area: 68.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.099

Product Information

• Purity: 95%