Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528772589 |
|---|---|
| Sourires canoniques | CN(CCCl)CCCl.Cl |
| IUPAC Name | 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride |
| InChIKey | QZIQJVCYUQZDIR-UHFFFAOYSA-N |
| INCHI | 1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H |
| Isomères SMILES | CN(CCCl)CCCl.Cl |
| WGK Allemagne | 3 |
| RTECS | IA2100000 |
| PubChem CID | 5935 |
| Numéro ONU | 2811 |
| Groupe d'emballage | I |
| Poids moléculaire | 192.51 |
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 | Organic nitrogen compounds |
| Classe | Organonitrogen compounds |
| Subclass | Nitrogen mustard compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrogen mustard compounds |
| Alternative Parents | Trialkylamines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrogen mustard - Tertiary aliphatic amine - Tertiary amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom. |
| External Descriptors | hydrochloride |
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| Sensibilité | Hygroscopic. |
|---|---|
| Point de fusion (°C) | 108-111°C |
| Poids moléculaire | 192.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 191.004 Da |
| Monoisotopic Mass | 191.004 Da |
| Topological Polar Surface Area | 3.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 43.700 |
| 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 | 2 |