≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CN(C(CC1=CNC2=CC=CC=C21)CN3CCCC3)C(=O)OCC4=CC=CC=C4 |
|---|---|
| IUPAC Name | benzyl N-[(2S)-1-(1H-indol-3-yl)-3-pyrrolidin-1-ylpropan-2-yl]-N-methylcarbamate |
| InChIKey | HWHTTWOEJXZVKS-NRFANRHFSA-N |
| INCHI | 1S/C24H29N3O2/c1-26(24(28)29-18-19-9-3-2-4-10-19)21(17-27-13-7-8-14-27)15-20-16-25-23-12-6-5-11-22(20)23/h2-6,9-12,16,21,25H,7-8,13-15,17-18H2,1H3/t21-/m0/s1 |
| Isomeric SMILES | CN([C@@H](CC1=CNC2=CC=CC=C21)CN3CCCC3)C(=O)OCC4=CC=CC=C4 |
| PubChem CID | 2760532 |
| Molecular Weight | 391.515 |
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 | Tryptamines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tryptamines and derivatives |
| Alternative Parents | Benzyloxycarbonyls 3-alkylindoles Aralkylamines Substituted pyrroles N-alkylpyrrolidines Heteroaromatic compounds Carbamate esters Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triptan - Benzyloxycarbonyl - 3-alkylindole - Indole - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. |
| External Descriptors | Not available |
| Molecular Weight | 391.500 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 391.226 Da |
| Monoisotopic Mass | 391.226 Da |
| Topological Polar Surface Area | 48.600 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 516.000 |
| 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 |
