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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CCN(CC)CCCN=C=S |
|---|---|
| IUPAC Name | N,N-diethyl-3-isothiocyanatopropan-1-amine |
| InChIKey | QPBVKSLJBRCKIF-UHFFFAOYSA-N |
| INCHI | 1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3 |
| Isómeros SMILES | CCN(CC)CCCN=C=S |
| WGK Alemania | 3 |
| Peso molecular | 172.29 |
| Reaxy-Rn | 1757446 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757446&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Isothiocyanates |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isothiocyanates |
| Alternative Parents | Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tertiary aliphatic amine - Tertiary amine - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. |
| External Descriptors | Not available |
| Sensibilidad | Moisture sensitive |
|---|---|
| Punto de inflamación (°F) | >230 °F |
| Punto de inflamación (°C) | >110 °C |
| Punto de ebullición (°C) | 94-95°/3.5mmHg |
| Peso molecular | 172.290 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 172.103 Da |
| Monoisotopic Mass | 172.103 Da |
| Topological Polar Surface Area | 47.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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 |