Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 2.8 |
|---|
| Pubchem Sid | 504750732 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750732 |
| Canonical Smiles | C1CCC(CC1)NC(=O)N(CCCl)N=O |
| IUPAC Name | 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea |
| InChIKey | GQYIWUVLTXOXAJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14) |
| Isomeric SMILES | C1CCC(CC1)NC(=O)N(CCCl)N=O |
| WGK Germany | 3 |
| RTECS | YS4900000 |
| Molecular Weight | 233.7 |
| Reaxy-Rn | 2125058 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2125058&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Ureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrosoureas |
| Alternative Parents | Semicarbazides Nitrosamides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Nitrosourea - Semicarbazide - Nitrosamide - Organic n-nitroso compound - Organic nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Organic nitrogen compound - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrosoureas. These are compounds containing a nitro group and an urea group N-N linked together, with the general structure R1N(R2)C(=O)N(R3)N=O. |
| External Descriptors | organochlorine compound - N-nitrosoureas |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 15, 2026 | L123247 | |
| Certificate of Analysis | Feb 05, 2026 | L123247 | |
| Certificate of Analysis | Sep 09, 2025 | L123247 | |
| Certificate of Analysis | Sep 09, 2025 | L123247 | |
| Certificate of Analysis | Sep 09, 2025 | L123247 | |
| Certificate of Analysis | Nov 15, 2022 | L123247 |
| Sensitivity | Heat Sensitive |
|---|---|
| Melt Point(°C) | 89.0-93.0°C |
| Molecular Weight | 233.690 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 233.093 Da |
| Monoisotopic Mass | 233.093 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
| 1. Maryam H. Alaayedi, Nidhal K. Maraie. (2023) Lomustine’s nanoemulsion as nose-to-brain drug delivery system for CNS tumor treatment. SAUDI PHARMACEUTICAL JOURNAL, [PMID:37457367] [10.1016/j.jsps.2023.06.025] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →