Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)NCC(COC1=CC=CC2=C1NC(=O)N2)O.Cl |
|---|---|
| IUPAC Name | 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one;hydrochloride |
| InChIKey | YQVFCYCTITZLSX-UHFFFAOYSA-N |
| INCHI | 1S/C14H21N3O3.ClH/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10;/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19);1H |
| Isómeros SMILES | CC(C)(C)NCC(COC1=CC=CC2=C1NC(=O)N2)O.Cl |
| WGK Alemania | 3 |
| Peso molecular | 315.8 |
| Reaxy-Rn | 5386721 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5386721&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 | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Alkyl aryl ethers Benzenoids Imidazoles Heteroaromatic compounds Ureas Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Alkyl aryl ether - Benzenoid - Azole - Imidazole - Heteroaromatic compound - 1,2-aminoalcohol - Urea - Secondary alcohol - Azacycle - Secondary aliphatic amine - Secondary amine - Ether - Organic oxide - Organonitrogen compound - Alcohol - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Hydrochloride - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
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| Solubilidad | Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 50 |
|---|---|
| Sensibilidad | Moisture sensitive. |
| Peso molecular | 315.790 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 315.135 Da |
| Monoisotopic Mass | 315.135 Da |
| Topological Polar Surface Area | 82.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |