≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
Intermediate in the production of Cyclophosphamide metabolites.
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)CCOP(=O)(N)N(CCCl)CCCl |
|---|---|
| IUPAC Name | benzyl 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoate |
| InChIKey | URRQYEVJTAKGKS-UHFFFAOYSA-N |
| INCHI | 1S/C14H21Cl2N2O4P/c15-7-9-18(10-8-16)23(17,20)22-11-6-14(19)21-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,17,20) |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)CCOP(=O)(N)N(CCCl)CCCl |
| Molecular Weight | 383.21 |
| Reaxy-Rn | 2396790 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2396790&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Nitrogen mustard compounds Phosphoric monoester diamides Phosphate esters Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Nitrogen mustard - Phosphoric monoester diamide - Organic phosphoric acid derivative - Phosphoric acid ester - Organic phosphoric acid amide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2206528 | Certificate of Analysis | Jun 10, 2025 | C347178 |
| I2206537 | Certificate of Analysis | Aug 03, 2022 | C347178 |
| L2404166 | Certificate of Analysis | Aug 03, 2022 | C347178 |
| L2412326 | Certificate of Analysis | Aug 03, 2022 | C347178 |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
|---|---|
| Molecular Weight | 383.200 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 382.062 Da |
| Monoisotopic Mass | 382.062 Da |
| Topological Polar Surface Area | 81.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 389.000 |
| 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 |
