≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,Desiccated Ships Normal 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.
| Canonical Smiles | CCCCN(CCCC)CCCC.C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl |
|---|---|
| IUPAC Name | N,N-dibutylbutan-1-amine;[dichloro(phosphono)methyl]phosphonic acid |
| InChIKey | NDWFZUQKBXXXGW-UHFFFAOYSA-N |
| INCHI | 1S/C12H27N.CH4Cl2O6P2/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,10(4,5)6)11(7,8)9/h4-12H2,1-3H3;(H2,4,5,6)(H2,7,8,9) |
| Isomeric SMILES | CCCCN(CCCC)CCCC.C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl |
| Alternate CAS | 163706-61-4 |
| Molecular Weight | 430.24 |
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 acids and derivatives |
| Class | Organic phosphonic acids and derivatives |
| Subclass | Bisphosphonates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bisphosphonates |
| Alternative Parents | Organic phosphonic acids Trialkylamines Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Not available |
| Substituents | Bisphosphonate - Organophosphonic acid - Tertiary amine - Tertiary aliphatic amine - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms. |
| 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 |
|---|---|---|---|
 B2626647 | Certificate of Analysis | Jan 13, 2026 | T770223 |
| B2626648 | Certificate of Analysis | Jan 13, 2026 | T770223 |
| B2626649 | Certificate of Analysis | Jan 13, 2026 | T770223 |
| B2626650 | Certificate of Analysis | Jan 13, 2026 | T770223 |
| Molecular Weight | 430.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 429.1 Da |
| Monoisotopic Mass | 429.1 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 283.000 |
| 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 | 2 |
