≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN1CCC2=CC=CC=C2C(C1=O)N |
|---|---|
| IUPAC Name | (5S)-5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid |
| InChIKey | OKIUTGMRNOGDFF-VZOQACJPSA-N |
| INCHI | 1S/C20H18O8.C11H14N2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2-5,10H,6-7,12H2,1H3/t15-,16-;10-/m10/s1 |
| Isómeros SMILES | CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN1CCC2=CC=CC=C2[C@@H](C1=O)N |
| PubChem CID | 69249858 |
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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | Benzazepines Benzoic acid esters Alpha amino acids and derivatives Benzoyl derivatives Toluenes Azepines Aralkylamines Monosaccharides Tertiary carboxylic acid amides Tertiary amines Lactams Carboxylic acid esters Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Tetracarboxylic acid or derivatives - Benzazepine - Benzoate ester - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Toluene - Azepine - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary amine - Lactam - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | Not available |
| Peso molecular | 576.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 576.211 Da |
| Monoisotopic Mass | 576.211 Da |
| Topological Polar Surface Area | 174.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 762.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
![(S)-1-amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one (2R,3R)-2,3-bis(4-methylbenzoyloxy)succinate - ≥98% , CAS No.425386-58-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)