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| IUPAC name : | (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid |
| InChI : | InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 |
| InChIKey : | WTDRDQBEARUVNC-LURJTMIEBA |
| SMILES : | C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O |
| cas number : | 59-92-7 |
| (EINECS) number : | 200-445-2 |
| beilstein number : | 2215169 |
| molar refractivity : | 49.25 ± 0.3 cm3 |
| parachor : | 401.8 ± 4.0 cm3 |
| index of refraction : | 1.654 ± 0.02 |
| surface tension : | 80.2 ± 3.0 dyne/cm |
| density : | 1.468 ± 0.06 g/cm3 |
| polarizability : | 19.52 ± 0.5 10-24cm3 |
| XlogP : | -1.80 |
| molecular weight : | 197.1879400 (IUPAC) |
| formula : | C9 H11 N O4 |
| BioActivity Analysis : | 555833 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.50.4000 |
| fda reg : | unspecified |
Suppliers :
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| Ajinomoto : | LEVODOPA
USP, EP |
| Jiangyin Healthway : | Levodopa
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organoleptics :
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properties :
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| appearence : | white powder |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 281.00 to 285.00 °C. @ 760.00 mm Hg
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| boiling point : | 447.00 to 449.00 °C. @ 760.00 mm Hg
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| flash point : | 437.00 °F. TCC ( 225.00 °C. )
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| logP (o/w) : | -0.23 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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intravenous-Mouse 450.00 mg/kg
Oral-Mouse 2363.00 mg/kg
Oral-Rabbit 609.00 mg/kg
Intraperitoneal-Rat 624.00 mg/kg
intravenous-Rat >100.00 mg/kg
Oral-Rat 1780.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Subcutaneous-Mouse 4449.00 mg/kg
Subcutaneous-Rat 2000.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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safety references :
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| EPI System : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid |
| (EINECS) number : | 200-445-2 |
| RTECS : | AY5600000 for cas# 59-92-7 |
| chemidplus : | 000059927 |
| EPA Substance Registry Services : | 59-92-7 |
| dtp/nci : | 118381 |
references :
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| | (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid |
| pubchem : | 148922 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| Dietary Supplements Labels Database : | Search |