Determine the necessary mass, volume, or concentration for preparing a solution.
≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
Carboxyphosphamide is a Cyclophosphamide metabolite.
| Sonrisas canónicas | C(COP(=O)(N)N(CCCl)CCCl)C(=O)O |
|---|---|
| IUPAC Name | 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid |
| InChIKey | QLAKAJLYYGOZQL-UHFFFAOYSA-N |
| INCHI | 1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13) |
| Isómeros SMILES | C(COP(=O)(N)N(CCCl)CCCl)C(=O)O |
| Peso molecular | 293.08 |
| Reaxy-Rn | 2053657 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053657&ln= |
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 |
| Clase | Organonitrogen compounds |
| Subclass | Nitrogen mustard compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrogen mustard compounds |
| Alternative Parents | Phosphoric monoester diamides Phosphate esters Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrogen mustard - Phosphoric monoester diamide - Organic phosphoric acid derivative - Phosphoric acid ester - Organic phosphoric acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound |
| Descripción | 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 |
| Solubilidad | Soluble in Methanol |
|---|---|
| Sensibilidad | Moisture sensitive |
| Punto de fusión (°C) | 105-108° C |
| Peso molecular | 293.080 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 292.015 Da |
| Monoisotopic Mass | 292.015 Da |
| Topological Polar Surface Area | 92.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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 |