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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 | CC(C)(CO)C(C1=CC=CC=C1)N |
|---|---|
| IUPAC Name | (3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol |
| InChIKey | JROIRYAZVQTFDW-JTQLQIEISA-N |
| INCHI | 1S/C11H17NO/c1-11(2,8-13)10(12)9-6-4-3-5-7-9/h3-7,10,13H,8,12H2,1-2H3/t10-/m0/s1 |
| Isomeric SMILES | CC(C)(CO)[C@H](C1=CC=CC=C1)N |
| Molecular Weight | 179.26 |
| Reaxy-Rn | 6844090 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6844090&ln= |
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 | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Aralkylamines 1,3-aminoalcohols Primary alcohols Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Aralkylamine - 1,3-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
| Molecular Weight | 179.260 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 179.131 Da |
| Monoisotopic Mass | 179.131 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 150.000 |
| 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 |
