1-[4-(benzyloxy)phenyl]guanidine

• ChemBase ID: 117559
• Molecular Formular: C14H15N3O
• Molecular Mass: 241.2884
• Monoisotopic Mass: 241.12151212
• SMILES: C(=N)(Nc1ccc(OCc2ccccc2)cc1)N
• Canonical SMILES: NC(=N)Nc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C14H15N3O/c15-14(16)17-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,15,16,17)
• InChIKey: QDBVHKSIRVWEEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(benzyloxy)phenyl]guanidine
• IUPAC Traditional name: 1-[4-(benzyloxy)phenyl]guanidine
• Synonyms: N-[4-(benzyloxy)phenyl]guanidine

Database IDs

• MDL Number: MFCD16653196
• PubChem SID: 162102493
• PubChem CID: 22619983

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.10057686
• LogD (pH = 7.4): 0.23378272
• Log P: 2.5140407
• Molar Refractivity: 83.2676 cm^3
• Polarizability: 27.278269 Å^3
• Polar Surface Area: 71.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.087

Product Information

• Purity: 95+%