5-Aminofluorescein CAS#: 3326-34-9; 凯望编码 (ChemWhat Code): 330718
Identification
| 英文名 | 5-Aminofluorescein |
| IUPAC Name | pyridin-3-amine |
| 分子结构 |  |
| CAS编号 | 3326-34-9 |
| EINECS Number | 222-043-6 |
| MDL Number | MFCD00133331 |
| Beilstein Registry Number | 48395 |
| 别名 | fluoresceinamine5-aminofluorescein4′-aminofluorescein5-fluorescein amineaminofluoresceinfluorescein amine isomer 1 |
| 分子式 | C20H13NO5 |
| 分子量 | 347.321 |
| InChI | InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2 |
| InChI Key | GZAJOEGTZDUSKS-UHFFFAOYSA-N |
| Canonical SMILES | c1cc2c(cc1N)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN111269164 | Ketone compound, preparation method and application thereof, and method for site-specific modification of protein containing cysteine residues or disulfide bonds | 2020 |
| US5099020 | Barbiturate assay compositions and methods | 1992 |
Physical Data
| Appearance | Orange to brown to dark red powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Comment (Melting Point) |
| 215 – 220 | Decomp.An der Luft erfolgt Rotbraunfaerbung. |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Association with compound | aq. buffer, lithium hydroxide monohydrate | 24.84 | bovine serum albumine |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts, Spectrum | 13C | dimethylsulfoxide-d6 | |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 300 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Bands, Spectrum | potassium bromide |
| Description (Mass Spectrometry) |
| electrospray ionisation (ESI), spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Spectrum | ethanol, lithium hydroxide monohydrate | ||
| Spectrum | dimethyl sulfoxide | ||
| Spectrum | N,N-dimethyl-formamide | ||
| pH dependence, Spectrum | lithium hydroxide monohydrate, ethanol | 455 | 1540 |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: fluoresceinamine With hydrogenchloride; sodium nitrite In water at 0℃; for 1.58333h; Stage #2: With potassium iodide In water at 0 – 20℃; for 4.16667h; | 78% |
| Stage #1: fluoresceinamine With hydrogenchloride; sodium nitrite In water at 0℃; for 3h; Stage #2: With potassium iodide In water at 0 – 20℃; for 3h; | 75% |
| Stage #1: fluoresceinamine With hydrogenchloride; sodium nitrite In water at 0℃; Stage #2: With potassium iodide In water at 0℃; |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (98.81%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.81%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 347.327 |
| logP | 3.018 |
| HBA | 3 |
| HBD | 3 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 102.01 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 5-Aminofluorescein CAS#: 3326-34-9 as receptor for nanosensor |
| 5-Aminofluorescein CAS#: 3326-34-9 used as basic raw materials; organic synthesis intermediates. |
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