Dabsyl-L-proline - ≥98% , CAS No.89131-09-9

CAS: 89131-09-9 Cat. No.: D154260 Summenformel: C₁₉H₂₂N₄O₄S Molekulargewicht: 402.47 PubChem CID: 14048715

GRADE & PURITY ≥98%

Synonyms

Dabsyl-L-proline | DTXSID10555051 | 1-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-proline | (S,E)-1-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonyl)pyrrolidine-2-carboxylic acid | 4-Dimethylaminoazobenzene-4'-sulfonyl-L-proline |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Dabsyl-L-proline | DTXSID10555051 | 1-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-proline | (S,E)-1-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonyl)pyrrolidine-2-carboxylic acid | 4-Dimethylaminoazobenzene-4'-sulfonyl-L-proline |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488198582

Kanonisches Lächeln

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O

IUPAC Name

(2S)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

InChIKey

IIHLDMYXACDQGQ-SFHVURJKSA-N

INCHI

1S/C19H22N4O4S/c1-22(2)16-9-5-14(6-10-16)20-21-15-7-11-17(12-8-15)28(26,27)23-13-3-4-18(23)19(24)25/h5-12,18H,3-4,13H2,1-2H3,(H,24,25)/t18-/m0/s1

Isomere SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H]3C(=O)O

PubChem CID

14048715

Molekulargewicht

402.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Proline and derivatives Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Pyrrolidine carboxylic acids Dialkylarylamines Organosulfonamides Sulfonyls Amino acids Azo compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Azobenzene - Proline or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Tertiary amine - Amino acid - Azo compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 172 °C
• Molekulargewicht: 402.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 402.136 Da
• Monoisotopic Mass: 402.136 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 660.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 89131-09-9, the molecular formula is C19H22N4O4S, and the molecular weight is 402.47 g/mol. InChIKey IIHLDMYXACDQGQ-SFHVURJKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.