chempirical

6-Carboxytetramethylrhodamine

C25H22N2O5CAS 91809-67-5430.46 g/mol

Open in Covalent MOL file
NOHOOO−NO+
Carboxylic acidTertiary amine

Properties

Molecular formula
C25H22N2O5
Molar mass
430.46 g/mol
Exact mass
430.1529 Da
logP
3.73Crippen estimate
Polar surface area
95.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
91809-67-5
SMILES
CN(C)c1ccc2c(-c3cc(C(=O)O)ccc3C(=O)[O-])c3ccc(N(C)C)cc3[o+]c2c1
InChIKey
COCMHKNAGZHBDZ-UHFFFAOYSA-N
InChI
InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(24(28)29)5-8-17(20)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(dimethylamino)-, inner salt
  • N,N,N′,N′-Tetramethyl-6-carboxyrhodamine
  • 6-TAMRA

Work with 6-Carboxytetramethylrhodamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Carboxytetramethylrhodamine N-succinimidyl ester150810-69-866 % similar Rhodamine B81-88-948 % similar 4-(Dimethylamino)benzoic acid619-84-144 % similar 3-(Dimethylamino)benzoic acid99-64-943 % similar Rhodamine 11013558-31-141 % similar 3-[2-[4-(Dimethylamino)phenyl]diazenyl]benzoic acid20691-84-338 % similar 4-Chlorophthalic acid monosodium salt56047-23-535 % similar Trimellitic acid528-44-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Fmoc-D-4-carbamoylphe1217610-39-3 Dbco-C6-nhs ester1384870-47-6

Elsewhere

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