Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488179993 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179993 |
| Canonical Smiles | CNCC(C1=CC(=CC=C1)O)O |
| IUPAC Name | 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol |
| InChIKey | SONNWYBIRXJNDC-VIFPVBQESA-N |
| INCHI | 1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 |
| Isomeric SMILES | CNC[C@@H](C1=CC(=CC=C1)O)O |
| RTECS | DO7175000 |
| PubChem CID | 6041 |
| Molecular Weight | 167.21 |
| Reaxy-Rn | 3198815 |
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 |
| Class | Phenols |
| Subclass | 1-hydroxy-4-unsubstituted benzenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-hydroxy-4-unsubstituted benzenoids |
| Alternative Parents | Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. |
| External Descriptors | phenylethanolamines - secondary amino compound |
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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 | Sep 25, 2025 | S161304 | |
| Certificate of Analysis | Sep 25, 2025 | S161304 | |
| Certificate of Analysis | Sep 25, 2025 | S161304 | |
| Certificate of Analysis | Sep 25, 2025 | S161304 | |
| Certificate of Analysis | Sep 25, 2025 | S161304 | |
| Certificate of Analysis | Sep 04, 2025 | S161304 | |
| Certificate of Analysis | Jun 29, 2024 | S161304 | |
| Certificate of Analysis | Apr 07, 2024 | S161304 | |
| Certificate of Analysis | Nov 16, 2022 | S161304 | |
| Certificate of Analysis | Nov 16, 2022 | S161304 | |
| Certificate of Analysis | Nov 16, 2022 | S161304 | |
| Certificate of Analysis | Nov 16, 2022 | S161304 | |
| Certificate of Analysis | Nov 16, 2022 | S161304 | |
| Certificate of Analysis | Nov 16, 2022 | S161304 | |
| Certificate of Analysis | Sep 30, 2021 | S161304 | |
| Certificate of Analysis | Sep 30, 2021 | S161304 |
| Solubility | Solubility in hot Methanol almost transparency; |
|---|---|
| Specific Rotation[α] | -55.5° (C=5,1mol/L HCl) |
| Melt Point(°C) | 172 - 176°C |
| Molecular Weight | 167.200 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 167.095 Da |
| Monoisotopic Mass | 167.095 Da |
| Topological Polar Surface Area | 52.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 130.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
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