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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.
| Canonical Smiles | CC1=CC=C(C=C1)CN(CCO)CCO |
|---|---|
| IUPAC Name | 2-[2-hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol |
| InChIKey | DUUFGGOWUAPNDI-UHFFFAOYSA-N |
| INCHI | 1S/C12H19NO2/c1-11-2-4-12(5-3-11)10-13(6-8-14)7-9-15/h2-5,14-15H,6-10H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)CN(CCO)CCO |
| PubChem CID | 4219208 |
| Molecular Weight | 209.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines Toluenes Aralkylamines Trialkylamines 1,2-aminoalcohols Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Molecular Weight | 209.280 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 209.142 Da |
| Monoisotopic Mass | 209.142 Da |
| Topological Polar Surface Area | 43.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 150.000 |
| 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 |