N'-ethyl-1-phenoxymethanimidamide

• ChemBase ID: 110473
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: CC/N=C(\N)/Oc1ccccc1
• Canonical SMILES: CC/N=C(/Oc1ccccc1)\N
• InChI: InChI=1S/C9H12N2O/c1-2-11-9(10)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
• InChIKey: NFMUDFDTXUCLQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-ethyl-1-phenoxymethanimidamide
• IUPAC Traditional name: N'-ethyl-1-phenoxymethanimidamide
• Synonyms: 1-ETHYL-o-PHENYLUREA

Database IDs

• PubChem SID: 162106387
• PubChem CID: 25021630

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.20243281
• LogD (pH = 7.4): 1.6543834
• Log P: 1.8972734
• Molar Refractivity: 47.6916 cm^3
• Polarizability: 18.38539 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215157

MP Biomedicals Rare Chemical collection