![(E)-10-(4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)-3-(4-(dimethylamino)styryl)-5,5-difluoro-1,7,9-trimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide](https://resource.bocsci.com/structure/949108-72-9.gif)
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BDP TMR carboxylic acid
| Catalog Number | F01-0020 |
| Category | BODIPY |
| Molecular Formula | C21H21BF2N2O3 |
| Molecular Weight | 398.21 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
This free carboxylic acid can be used as a non-reactive control in side-by side experiments with other reactive derivatives of BDP TMR. It can also be used for Steglich esterification.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoic acid |
| Canonical SMILES | [B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)O)C)(F)F |
| InChI | InChI=1S/C21H21BF2N2O3/c1-13-18(9-11-21(27)28)14(2)25-20(13)12-16-6-10-19(26(16)22(25,23)24)15-4-7-17(29-3)8-5-15/h4-8,10,12H,9,11H2,1-3H3,(H,27,28) |
| InChIKey | XNXZTGCQHQKUMJ-UHFFFAOYSA-N |
| Solubility | good in alcohols, DMSO, DMF |
| Appearance | dark green-black crystals |
| Fluorescence Quantum Yield | 0.95 |
| Excitation | 545 |
| Emission | 570 |
| Storage | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.1613290 g/mol |
| Monoisotopic Mass | 398.1613290 g/mol |
| Topological Polar Surface Area | 54.5Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 800 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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