≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 |
|---|
| Canonical Smiles | C(CCl)NCCCl |
|---|---|
| IUPAC Name | 2-chloro-N-(2-chloroethyl)ethanamine |
| InChIKey | TXFLGZOGNOOEFZ-UHFFFAOYSA-N |
| INCHI | 1S/C4H9Cl2N/c5-1-3-7-4-2-6/h7H,1-4H2 |
| Isomeric SMILES | C(CCl)NCCCl |
| Alternate CAS | 821-48-7 |
| Molecular Weight | 142.02 |
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 |
| Class | Organonitrogen compounds |
| Subclass | Nitrogen mustard compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrogen mustard compounds |
| Alternative Parents | Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrogen mustard - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - 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 | nitrogen mustard |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 142.020 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 141.011 Da |
| Monoisotopic Mass | 141.011 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 28.900 |
| 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 |
