4-phenoxybutanimidamide

• ChemBase ID: 263887
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=N)(N)CCCOc1ccccc1
• Canonical SMILES: NC(=N)CCCOc1ccccc1
• InChI: InChI=1S/C10H14N2O/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12)
• InChIKey: NZSAOZGIHOWBHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09951552
• PubChem SID: 164319797
• PubChem CID: 24711643

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

• Hydrophobicity(logP): 1.214

Product Information

• Purity: 95%