cycloheptylurea

• ChemBase ID: 107482
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: NC(=O)NC1CCCCCC1
• Canonical SMILES: NC(=O)NC1CCCCCC1
• InChI: InChI=1S/C8H16N2O/c9-8(11)10-7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,9,10,11)
• InChIKey: SZGLLXJFYCJRPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloheptylurea
• IUPAC Traditional name: cycloheptylurea
• Synonyms: CYCLOHEPTYLUREA

Database IDs

• PubChem SID: 162106096
• PubChem CID: 294522

CALCULATED PROPERTIES

• Acid pKa: 15.726852
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.1036813
• LogD (pH = 7.4): 1.1036814
• Log P: 1.1036814
• Molar Refractivity: 43.6545 cm^3
• Polarizability: 17.085375 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203915

MP Biomedicals Rare Chemical collection