4-phenoxybutanimidamide hydrochloride

• ChemBase ID: 263909
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=N)(N)CCCOc1ccccc1.Cl
• Canonical SMILES: NC(=N)CCCOc1ccccc1.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c11-10(12)7-4-8-13-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H3,11,12);1H
• InChIKey: MTJAHLHLXRFANQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenoxybutanimidamide hydrochloride
• IUPAC Traditional name: 4-phenoxybutanimidamide hydrochloride
• Synonyms: 4-phenoxybutanimidamide hydrochloride

Database IDs

• MDL Number: MFCD09260747
• PubChem SID: 164319819
• PubChem CID: 42614758

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3333361
• LogD (pH = 7.4): -1.3329235
• Log P: 1.0821173
• Molar Refractivity: 62.4765 cm^3
• Polarizability: 20.233702 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 1.214

Product Information

• Purity: 95%