1-methyl-1-phenylurea

• ChemBase ID: 258085
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(N(c1ccccc1)C)N
• Canonical SMILES: CN(c1ccccc1)C(=O)N
• InChI: InChI=1S/C8H10N2O/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
• InChIKey: SKAADKSETAYKGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1-phenylurea
• IUPAC Traditional name: 1-methyl-1-phenyl urea
• Synonyms: 1-methyl-1-phenylurea

Database IDs

• MDL Number: MFCD00456415
• PubChem SID: 164313995
• PubChem CID: 78316

CALCULATED PROPERTIES

• Acid pKa: 16.070818
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7414767
• LogD (pH = 7.4): 0.7414767
• Log P: 0.7414767
• Molar Refractivity: 42.7136 cm^3
• Polarizability: 16.339865 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 0.421

Product Information

• Purity: 95%