≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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.
| ALogP | 2.7 |
|---|
| Canonical Smiles | CC(C)(C)OC(=O)NC1=CC2=C(CCN2)C=C1 |
|---|---|
| IUPAC Name | tert-butyl N-(2,3-dihydro-1H-indol-6-yl)carbamate |
| InChIKey | VWVPSFNYFXGUHV-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-6-7-14-11(9)8-10/h4-5,8,14H,6-7H2,1-3H3,(H,15,16) |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1=CC2=C(CCN2)C=C1 |
| PubChem CID | 53432601 |
| Molecular Weight | 234.29 |
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 | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Secondary alkylarylamines Aralkylamines Benzenoids Carbamate esters Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Carbamic acid ester - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Molecular Weight | 234.290 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 234.137 Da |
| Monoisotopic Mass | 234.137 Da |
| Topological Polar Surface Area | 50.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |
