≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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 | 1.8 |
|---|
| Canonical Smiles | C#CCNC1C2C(=CC=CC=2)CC1 |
|---|---|
| IUPAC Name | N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine |
| InChIKey | RUOKEQAAGRXIBM-UHFFFAOYSA-N |
| INCHI | 1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2 |
| Isomeric SMILES | C#CCNC1CCC2=CC=CC=C12 |
| PubChem CID | 122316 |
| Molecular Weight | 171.24 |
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 | Benzenoids |
| Class | Indanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanes |
| Alternative Parents | Aralkylamines Dialkylamines Acetylides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indane - Aralkylamine - Acetylide - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 171.240 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 171.105 Da |
| Monoisotopic Mass | 171.105 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 212.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
A2623600