N-phenylcarbamimidic acid

• ChemBase ID: 286910
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: OC(=N)Nc1ccccc1
• Canonical SMILES: OC(=N)Nc1ccccc1
• InChI: InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
• InChIKey: LUBJCRLGQSPQNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylcarbamimidic acid
• IUPAC Traditional name: N-phenylcarbamimidic acid
• Synonyms: 1-Phenylurea

Database IDs

• CAS Number: 64-10-8
• MDL Number: MFCD00007944
• PubChem SID: 180672441
• PubChem CID: 6145

CALCULATED PROPERTIES

• Acid pKa: -2.721915
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.05208838
• LogD (pH = 7.4): 0.052088372
• Log P: 0.052088384
• Molar Refractivity: 50.5343 cm^3
• Polarizability: 14.648688 Å^3
• Polar Surface Area: 56.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%