Rhodamine 19 - ≥97%(HPLC) , CAS No.25152-49-2

CAS: 25152-49-2 Cat. No.: R404971 Summenformel: C₂₆H₂₆N₂O₃ Molekulargewicht: 414.51 EG-Nummer: 246-666-8 PubChem CID: 65206

GRADE & PURITY ≥97%(HPLC)

Synonyms

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, inner salt | Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, hydroxide, inner salt | CCG-15032 | MFCD02684062 | R0186 | 2-[6-(ethyl amino)-3-(ethylimino)-2,7-dimethyl-3h

Storage

Room temperature

Übersicht

Maximum Absorption Wavelength:519(MeOH)nm

Specifications

Synonyme

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, inner salt | Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, hydroxide, inner salt | CCG-15032 | MFCD02684062 | R0186 | 2-[6-(ethyl amino)-3-(ethylimino)-2,7-dimethyl-3h

Spezifikationen & Reinheit

≥97%(HPLC)

Storage

Room temperature

Reinheit

≥97%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)O

IUPAC Name

2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid

InChIKey

ZTKQHJHANLVEBM-UHFFFAOYSA-N

INCHI

1S/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,27H,5-6H2,1-4H3,(H,29,30)

Isomere SMILES

CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)O

PubChem CID

65206

Molekulargewicht

414.51

Reaxy-Rn

1670174

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzopyrans
      • Subclass 1-benzopyrans
        • Ebene5 Dibenzopyrans
          • Ebene6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Benzoic acids Benzoyl derivatives Secondary alkylarylamines Secondary ketimines Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Amino acid - Amino acid or derivatives - Oxacycle - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 299 °C
• Molekulargewicht: 414.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 414.194 Da
• Monoisotopic Mass: 414.194 Da
• Topological Polar Surface Area: 70.900 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 838.000
• 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