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| IUPAC name : | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid |
| InChI : | InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 |
| InChIKey : | QIVBCDIJIAJPQS-VIFPVBQEBP |
| SMILES : | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N |
| cas number : | 73-22-3 |
| (EINECS) number : | 200-795-6 |
| beilstein number : | 0086197 |
| molar refractivity : | 57.76 ± 0.3 cm3 |
| parachor : | 435.3 ± 4.0 cm3 |
| index of refraction : | 1.697 ± 0.02 |
| surface tension : | 71.1 ± 3.0 dyne/cm |
| density : | 1.362 ± 0.06 g/cm3 |
| polarizability : | 22.90 ± 0.5 10-24cm3 |
| XlogP : | -1.30 |
| molecular weight : | 204.2251800 |
| formula : | C11 H12 N2 O2 |
| BioActivity Analysis : | 77648 |
| NMR Predictor : | Predict |
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| export tariff code : | 2933.90.8300 |
| fda reg : | 172.320 |
Suppliers :
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| Ajinomoto : | L-TRYPTOPHAN
USP, EP |
| Tokyo Chemical Industry : | L-Tryptophan
>98.5%(T) |
organoleptics :
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properties :
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| appearence : | pale yellow to yellow crystalline powder |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 284.00 to 287.00 °C. @ 760.00 mm Hg
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| boiling point : | 447.00 to 450.00 °C. @ 760.00 mm Hg
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| flash point : | 435.00 °F. TCC ( 223.89 °C. )
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| logP (o/w) : | -1.06 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
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Intraperitoneal-Mouse 4800.00 mg/kg Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 635, 1980.
Oral-Mouse 15000.00 mg/kg
Intraperitoneal-Rat 1634.00 mg/kg
Oral-Rat >16000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Not determined
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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 |
| Carcinogenic Potency Database : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
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| (EINECS) number : | 200-795-6 |
| RTECS : | YN6130000 for 73-22-3 |
| chemidplus : | 000073223 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 73-22-3 |
| dtp/nci : | 13119 |
references :
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| | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
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| NIST Chemistry WebBook : | 2845161311 |
| pubchem : | 149244 |
Cosmetics :
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| Cosmetic uses : |
antistatic agents
hair conditioning
masking agents
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other :
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| CosIng : | cosmetic data |
| Dietary Supplements Labels Database : | Search |