hemicholinium mustard - Moligand™ , CAS No.83291-91-2

CAS: 83291-91-2 Cat. No.: H610808 PubChem CID: 196143

GRADE & PURITY Moligand™

Synonyms

4-(2-bromoethyl)-2-(4-{4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl}phenyl)morpholin-2-ol | DTXSID60276744 | GTPL5502 | 2-Morpholinol, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[4-(2-bromoethyl)- | hemicholinium mustard | Q27077975

Storage

Room temperature

Specifications

Synonyme

4-(2-bromoethyl)-2-(4-{4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl}phenyl)morpholin-2-ol | DTXSID60276744 | GTPL5502 | 2-Morpholinol, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[4-(2-bromoethyl)- | hemicholinium mustard | Q27077975

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

Kanonisches Lächeln

BrCCN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)C1(O)OCCN(C1)CCBr

IUPAC Name

4-(2-bromoethyl)-2-(4-{4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl}phenyl)morpholin-2-ol

InChIKey

DEHLWSSPVQFNBM-UHFFFAOYSA-N

INCHI

1S/C24H30Br2N2O4/c25-9-11-27-13-15-31-23(29,17-27)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24(30)18-28(12-10-26)14-16-32-24/h1-8,29-30H,9-18H2

Isomere SMILES

C1COC(CN1CCBr)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CN(CCO4)CCBr)O)O

PubChem CID

196143

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Biphenyls and derivatives Aralkylamines Trialkylamines Hemiacetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenylmorpholine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Hemiacetal - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Alkyl bromide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

Wirkungsmechanismen

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 83291-91-2. InChIKey DEHLWSSPVQFNBM-UHFFFAOYSA-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.