cyclohexylurea

• ChemBase ID: 83947
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N(C1CCCCC1)C(=O)N
• Canonical SMILES: NC(=O)NC1CCCCC1
• InChI: InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
• InChIKey: WUESWDIHTKHGQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexylurea
• IUPAC Traditional name: urea, cyclohexyl-
• Synonyms: N-cyclohexylurea; Cyclohexylurea; CYCLOHEXYL UREA; N-环己基脲

Database IDs

• CAS Number: 698-90-8
• EC Number: 211-822-6
• MDL Number: MFCD00014286
• Beilstein Number: 636914
• PubChem SID: 162071063
• PubChem CID: 69684

CALCULATED PROPERTIES

• Acid pKa: 15.6679535
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 0.65911263
• LogD (pH = 7.4): 0.65911275
• Log P: 0.65911275
• Molar Refractivity: 39.0535 cm^3
• Polarizability: 15.2490015 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191-195°C

Safety Information

• RTECS: YS7564300
• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05205910

MP Biomedicals Rare Chemical collection