555-30-6
Product Name:
Methyldopa
Formula:
C10H13NO4
Synonyms:
3-(3,4-Dihydroxyphenyl)-2-methyl-L -alanine;Methyl-L -DOPA;Methyl-DOPA sesquihydrate;MK-351
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Methyl dopa appears as colorless or almost colorless crystals or white to yellowish-white fine powder. Almost tasteless. In the sesquihydrate form. pH (saturated aqueous solution) about 5.0. (NTP, 1992) |
|---|---|
| Color/Form | Minute, anhyd crystals from methanol |
| Odor | ODORLESS |
| Taste | ALMOST TASTELESS |
| Melting Point | 572 °F approximately (decomposes) (NTP, 1992) |
| Solubility | >31.7 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -1.79 |
| Stability/Shelf Life | RELATIVELY STABLE IN BOTH LIGHT & AIR |
| Optical Rotation | Max absorption: 281 nm (e= 2780); Specific optical rotation (1 in 0.1 N HCl): -4.0 +/- 0.5 deg @ 23 °C/D |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| pH | pH of saturated aq soln about 5.0 |
| Dissociation Constants | 2.218 |
| Collision Cross Section | 147.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Considerably hygroscopic; decomp @ approx 300 °C; exists as sesquihydrate |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 211.21 g/mol |
|---|---|
| XLogP3 | -1.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 211.08445790 g/mol |
| Monoisotopic Mass | 211.08445790 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 246 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methyl dopa appears as colorless or almost colorless crystals or white to yellowish-white fine powder. Almost tasteless. In the sesquihydrate form. pH (saturated aqueous solution) about 5.0. (NTP, 1992)