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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1-[4-(2-methoxyethyl)phenoxy]-3-propan-2-ylamino-propan-2-ol is an inhibitor of β1-AR.
| pKa | pKa: 13.89 (Predicted), pKa: 9.43 (Predicted) |
|---|---|
| Datos Ki | beta1-AR: Ki= 102 nM (human); beta2-AR: Ki= 1769 nM (human); P-glycoprotein 1: Ki= 200 μM (human) |
| Sonrisas canónicas | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O |
|---|---|
| IUPAC Name | 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| InChIKey | IUBSYMUCCVWXPE-UHFFFAOYSA-N |
| INCHI | 1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 |
| Isómeros SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O |
| Peso molecular | 267.37 |
| Reaxy-Rn | 1117585 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1117585&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 | Benzenoids |
| Clase | Phenols |
| Subclass | Tyrosols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tyrosols and derivatives |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tyrosol derivative - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Dialkyl ether - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group. |
| External Descriptors | aromatic ether - secondary alcohol - secondary amino compound - propanolamine |
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| Sensibilidad | light sensitive |
|---|---|
| Índice de refracción | n20D1.51 (Predicted) |
| Punto de ebullición (°C) | ~398.6° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 116.15° C (Predicted) |
| Peso molecular | 267.360 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 267.183 Da |
| Monoisotopic Mass | 267.183 Da |
| Topological Polar Surface Area | 50.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| 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 | 1 |
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