Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 | CCCCCCCCC1=CC(=CC=C1)NC(=O)C(COP(=O)(O)O)N |
|---|---|
| IUPAC Name | [(2R)-2-amino-3-(3-octylanilino)-3-oxopropyl] dihydrogen phosphate |
| InChIKey | MRUSUGVVWGNKFE-MRXNPFEDSA-N |
| INCHI | 1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1 |
| Isomeric SMILES | CCCCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](COP(=O)(O)O)N |
| PubChem CID | 11588811 |
| Molecular Weight | 372.396 |
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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Anilides Phosphoethanolamines N-arylamides Monoalkyl phosphates Secondary carboxylic acid amides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid amide - Anilide - Phosphoethanolamine - N-arylamide - Monoalkyl phosphate - Benzenoid - Monocyclic benzene moiety - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Carboxamide group - Secondary carboxylic acid amide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
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| Solubility | Solvent:Acidified DMSO (5% 1N HCl in DMSO) , Max Conc. mg/mL: 3.72, Max Conc. mM: 10 with gentle warming; Solvent:2eq. NaOH, Max Conc. mg/mL: 18.62, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 372.400 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 372.181 Da |
| Monoisotopic Mass | 372.181 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
![(R)-phosphoric acid mono-[2-amino-2-(3-octyl-phenylcarbamoyl)-ethyl] ester - Moligand™, ≥99% CAS No(449173-19-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/R/1/R130529.png)