N,N'-Dicyclohexylurea - CAS 2387-23-7
Catalog: |
BB018221 |
Product Name: |
N,N'-Dicyclohexylurea |
CAS: |
2387-23-7 |
Synonyms: |
1,3-dicyclohexylurea |
IUPAC Name: | 1,3-dicyclohexylurea |
Description: | An impurity of Rupatadine.Rupatadine is a second generation antihistamine and PAF antagonist used to treat allergies. |
Molecular Weight: | 224.34 |
Molecular Formula: | C13H24N2O |
Canonical SMILES: | C1CCC(CC1)NC(=O)NC2CCCCC2 |
InChI: | InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) |
InChI Key: | ADFXKUOMJKEIND-UHFFFAOYSA-N |
Boiling Point: | 408.2 ℃ at 760 mmHg |
Melting Point: | 232-234 ℃ |
Purity: | 99 % |
Density: | 1.02 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00003829 |
LogP: | 3.73280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22489687 | 20120525 | Development of Ecom₅₀ and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry | Journal of chemical information and modeling |
22412609 | 20120301 | (E)-N-Butyl-3-(3,4-dihy-droxy-phen-yl)acryl-amide hemihydrate | Acta crystallographica. Section E, Structure reports online |
21907802 | 20120101 | Thermal degradation of amorphous glibenclamide | European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V |
22079754 | 20120101 | Design, synthesis and evaluation of non-urea inhibitors of soluble epoxide hydrolase | Bioorganic & medicinal chemistry letters |
22219903 | 20111101 | 2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.188863393 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.188863393 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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