C.I.Basic Red 1:1

cas: 3068-39-1 — see every product listed under this CAS number, including other names

C.I.Basic Red 1:1 (CAS 3068-39-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-C475858-100MG
cas3068-39-1
size100mg
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Structural formula: {0} (CAS {1})

Ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride (CAS 3068-39-1) is a chemical compound with the molecular formula C27H29ClN2O3 and a molecular weight of 465.0 g/mol. IUPAC name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride. InChIKey: GOVUVIWZMYRXMY-UHFFFAOYSA-N.

Identity
Molecular formulaC27H29ClN2O3
Molecular weight465.0 g/mol
IUPAC nameethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride
InChIKeyGOVUVIWZMYRXMY-UHFFFAOYSA-N
SMILESCCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.[Cl-]

Computed by PubChem (NCBI)

Synonyms: Rhodamine 590, Rhodamine 590 chloride, WDTZNHRKHNKDOU-UHFFFAOYSA-M, 3,6-Bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethylxanthyliumchloride
Isomers (same molecular formula)
[(S)-[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate C27H29ClN2O3
[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate C27H29ClN2O3

Also listed as

C.I.BASIC RED 1:1, 96%, 96% Chemat CAS 3068-39-1
3,6-Bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethylxanthylium chloride, 90% AmBeed CAS 3068-39-1
3,6–Bis(ethylamino)–9–(2–(methoxycarbonyl)phenyl)–2,7–dimethylxanthylium chloride GLPBio CAS 3068-39-1
Rhodamine 590 Chloride, >90.0%(HPLC) TCI CAS 3068-39-1