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Basic Description
| Synonyms | C13H24N2O | DICYCLOHEXYLCARBODIAMIDE | N.N' - dicyclohexylurea | dicylohexyl urea | EN300-15666 | NSC 30023 | AB10257 | dicyclohexyl urea | SCHEMBL2755 | Urea,3-dicyclohexyl- | BDBM25731 | AKOS000121544 | DICYCLOHEXYLUREA, N,N'- | N,N'-Dicyclohexylurea, 9 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic carbonic acids and derivatives
- Subclass Ureas
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Class
Organic carbonic acids and derivatives
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Superclass
Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Ureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ureas |
| Alternative Parents | Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group. |
| External Descriptors | Not available |
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Associated Targets(Human)
EPHX2
Tchem
Bifunctional epoxide hydrolase 2 (7 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
EPHX1
Tchem
Epoxide hydrolase 1 (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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EPHX1
Tchem
Epoxide hydrolase 1 (644 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
EPHX2
Tchem
Epoxide hydratase (3844 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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KDM4E
Tchem
Lysine-specific demethylase 4D-like (40243 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RUNX1
Tbio
Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Liver microsome (341 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488179824 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179824 |
| IUPAC Name | 1,3-dicyclohexylurea |
| 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) |
| InChIKey | ADFXKUOMJKEIND-UHFFFAOYSA-N |
| Smiles | C1CCC(CC1)NC(=O)NC2CCCCC2 |
| Isomeric SMILES | C1CCC(CC1)NC(=O)NC2CCCCC2 |
| WGK Germany | 3 |
| Molecular Weight | 224.34 |
| Beilstein | 517586 |
| Reaxy-Rn | 517586 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=517586&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2315946 |
Certificate of Analysis | May 09, 2023 | D124204 |
| F2315938 |
Certificate of Analysis | May 09, 2023 | D124204 |
| F2315929 |
Certificate of Analysis | May 09, 2023 | D124204 |
| F23151060 |
Certificate of Analysis | May 09, 2023 | D124204 |
| F2315941 |
Certificate of Analysis | May 09, 2023 | D124204 |
| F2315930 |
Certificate of Analysis | May 09, 2023 | D124204 |
| F2315939 |
Certificate of Analysis | May 09, 2023 | D124204 |
| E2329084 |
Certificate of Analysis | Apr 25, 2023 | D124204 |
| H2217304 |
Certificate of Analysis | Jun 17, 2022 | D124204 |
| D2303335 |
Certificate of Analysis | Jun 17, 2022 | D124204 |
| B2310378 |
Certificate of Analysis | Jun 17, 2022 | D124204 |
| H2217302 |
Certificate of Analysis | Jun 17, 2022 | D124204 |
| H2217303 |
Certificate of Analysis | Jun 17, 2022 | D124204 |
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Chemical and Physical Properties
| Melt Point(°C) | 235°C |
|---|---|
| Molecular Weight | 224.340 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.189 Da |
| Monoisotopic Mass | 224.189 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Jie-Ru Jiang, Zhi-Feng Chen, Xiao-Liang Liao, Qian-Yi Liu, Jia-Ming Zhou, Shi-Ping Ou, Zongwei Cai. (2023) Identifying potential toxic organic substances in leachates from tire wear particles and their mechanisms of toxicity to Scenedesmus obliquus. JOURNAL OF HAZARDOUS MATERIALS, 458 (132022). |
| 2. Fang Ge, Qun Zhang, Xiaowu Wang. (2021) Synthetic and mechanistic aspects of anionic polymerization of methyl methacrylate using tetrabutyl ammonium thioimidate. JOURNAL OF POLYMER SCIENCE, 59 (9): (764-774). |
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