≥95% 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.
| Sonrisas canónicas | CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)N)C.C1CCC(CC1)N |
|---|---|
| IUPAC Name | (2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine |
| InChIKey | MYXGDQOQWHFITA-FTBISJDPSA-N |
| INCHI | 1S/C28H38N4O7S.C6H13N/c1-17-18(2)24(19(3)21-13-14-28(4,5)39-23(17)21)40(36,37)32-26(29)30-15-9-12-22(25(33)34)31-27(35)38-16-20-10-7-6-8-11-20;7-6-4-2-1-3-5-6/h6-8,10-11,22H,9,12-16H2,1-5H3,(H,31,35)(H,33,34)(H3,29,30,32);6H,1-5,7H2/t22-;/m0./s1 |
| Isómeros SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)N)C.C1CCC(CC1)N |
| PubChem CID | 50878589 |
| Peso molecular | 673.86 |
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 | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,2-dimethyl-1-benzopyrans |
| Alternative Parents | Alpha amino acids and derivatives Benzyloxycarbonyls Alkyl aryl ethers Cyclohexylamines Aminosulfonyl compounds Organosulfonic acids and derivatives Carbamate esters Guanidines Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines |
| Molecular Framework | Not available |
| Substituents | 2,2-dimethyl-1-benzopyran - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Alkyl aryl ether - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Sulfonyl - Guanidine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Amine - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. |
| External Descriptors | Not available |
| Peso molecular | 673.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 12 |
| Exact Mass | 673.351 Da |
| Monoisotopic Mass | 673.351 Da |
| Topological Polar Surface Area | 204.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1050.000 |
| 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 | 2 |
