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1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione , CAS No.9977518
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Synonyms
CHEMBL3833301
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Synonyms
CHEMBL3833301
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC(CC1CCCCC1)NC |
|---|---|
| IUPAC Name | 1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione |
| InChIKey | MJCBWPMBFCUHBP-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3 |
| Isomeric SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC(CC1CCCCC1)NC |
| PubChem CID | 9977518 |
| Molecular Weight | 387.5 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
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View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Diazines
- Subclass Pyrimidines and pyrimidine derivatives
- Level5 Pyrimidones
- Level6 Barbituric acid derivatives
- Level5 Pyrimidones
- Subclass Pyrimidines and pyrimidine derivatives
- Class Diazines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidones |
| Direct Parent | Barbituric acid derivatives |
| Alternative Parents | N-acyl ureas Diazinanes Benzene and substituted derivatives Dicarboximides Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Barbiturate - N-acyl urea - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
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