≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504768938 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768938 |
| Canonical Smiles | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)CO |
| IUPAC Name | tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate |
| InChIKey | JEFQUFUAEKORKL-GFCCVEGCSA-N |
| INCHI | 1S/C16H22N2O3/c1-16(2,3)21-15(20)18-12(10-19)8-11-9-17-14-7-5-4-6-13(11)14/h4-7,9,12,17,19H,8,10H2,1-3H3,(H,18,20)/t12-/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)CO |
| Molecular Weight | 290.36 |
| Reaxy-Rn | 13864267 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13864267&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 |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Substituted pyrroles Benzenoids Heteroaromatic compounds Carbamate esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Substituted pyrrole - Benzenoid - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J1812061 | Certificate of Analysis | May 20, 2026 | B118744 |
| J1812060 | Certificate of Analysis | May 20, 2026 | B118744 |
| J1812063 | Certificate of Analysis | May 20, 2026 | B118744 |
| J1812062 | Certificate of Analysis | May 20, 2026 | B118744 |
| J2116049 | Certificate of Analysis | Jul 14, 2025 | B118744 |
| J2116051 | Certificate of Analysis | Jul 14, 2025 | B118744 |
| J2116133 | Certificate of Analysis | Jul 14, 2025 | B118744 |
| Specific Rotation[α] | +53° (c=2 in acetic acid) |
|---|---|
| Melt Point(°C) | 119-121°C |
| Molecular Weight | 290.360 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 290.163 Da |
| Monoisotopic Mass | 290.163 Da |
| Topological Polar Surface Area | 74.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |
