Rhodamine B hydrazide - ≥98% , CAS No.74317-53-6

CAS: 74317-53-6 Cat. No.: R304534 Molecular Weight: 456.59 EC Number: 634-768-9

GRADE & PURITY ≥98%

Synonyms

Rhodamine B CU2+ sen | AKOS024386406 | s10743 | HY-123645 | Rhodamine B hydrazide | SCHEMBL13391001 | MFCD07808762 | 2-amino-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one | WTDHTIVYKKLOTC-UHFFFAOYSA-N | DTXSID40400828 | AS-57628 | 2-amino-3'

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Rhodamine B CU2+ sen | AKOS024386406 | s10743 | HY-123645 | Rhodamine B hydrazide | SCHEMBL13391001 | MFCD07808762 | 2-amino-3', 6'-bis(diethylamino)spiro[isoindole-3, 9'-xanthene]-1-one | WTDHTIVYKKLOTC-UHFFFAOYSA-N | DTXSID40400828 | AS-57628 | 2-amino-3'

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762921
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762921
• Canonical Smiles: CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3N
• IUPAC Name: 2-amino-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
• InChIKey: WTDHTIVYKKLOTC-UHFFFAOYSA-N
• INCHI: 1S/C28H32N4O2/c1-5-30(6-2)19-13-15-23-25(17-19)34-26-18-20(31(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(33)32(28)29/h9-18H,5-8,29H2,1-4H3
• Isomeric SMILES: CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3N
• Molecular Weight: 456.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Isoindolones Isoindoles Dialkylarylamines Benzenoids Carboxylic acid hydrazides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary amine - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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

Chemical and Physical Properties

• Sensitivity: light sensitive；Heat sensitive；Air sensitive
• Melt Point(°C): 184 °C
• Molecular Weight: 456.600 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 456.253 Da
• Monoisotopic Mass: 456.253 Da
• Topological Polar Surface Area: 62.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 687.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

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