≥98%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1,1-Diethylurea forms molecular adduct with nitro-substituted aromatic carboxylic acids. Adduct hydrate of 1,1-diethylurea with pyrazine-2,3-dicarboxylic acid has been prepared and characterized using low-temperature single-crystal X-ray diffraction methods.
| Pubchem Sid | 504752350 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752350 |
| Canonical Smiles | CCN(CC)C(=O)N |
| IUPAC Name | 1,1-diethylurea |
| InChIKey | TUMNHQRORINJKE-UHFFFAOYSA-N |
| INCHI | 1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8) |
| Isomeric SMILES | CCN(CC)C(=O)N |
| WGK Germany | 3 |
| RTECS | YS9353900 |
| Molecular Weight | 116.16 |
| Beilstein | 4(4)380 |
| Reaxy-Rn | 1747730 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747730&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 | Ureas |
| Alternative Parents | Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic 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 |
| Solubility | water: soluble 50 g/L, clear |
|---|---|
| Sensitivity | Moisture sensitive |
| Boil Point(°C) | 130°C/3mmHg(lit.) |
| Melt Point(°C) | 68 °C |
| Molecular Weight | 116.160 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.095 Da |
| Monoisotopic Mass | 116.095 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 78.500 |
| 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 |
H2131232