5-Carboxytetramethylrhodamine

C₂₅H₂₂N₂O₅CAS 91809-66-4430.46 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₂₅H₂₂N₂O₅
Molar mass: 430.46 g/mol
Exact mass: 430.1529 Da
logP: 2.36Crippen estimate
Polar surface area: 96.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

91809-66-4

SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)O

InChIKey

YMZMTOFQCVHHFB-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)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)

Weigh it out

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

Work with 5-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

Pigment violet 11326-03-041 % similar 6-Carboxytetramethylrhodamine N-succinimidyl ester150810-69-837 % similar 4-(Dimethylamino)benzoic acid619-84-135 % similar 4-(Dimethylamino)pyridine-2-carboxylic acid890092-04-334 % similar 3-(Dimethylamino)benzoic acid99-64-933 % similar DAMC87-01-431 % 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 6-Carboxytetramethylrhodamine91809-67-5

Elsewhere

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