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| IUPAC name : | 2-acetamido-3-(1H-indol-3-yl)propanoic acid |
| InChI : | InChI=1/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) |
| InChIKey : | DZTHIGRZJZPRDV-UHFFFAOYAN |
| SMILES : | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
| cas number : | 87-32-1 |
| (EINECS) number : | 201-739-3 |
| beilstein number : | 0089478 |
| molar refractivity : | 67.12 ± 0.3 cm3 |
| parachor : | 518.8 ± 4.0 cm3 |
| index of refraction : | 1.645 ± 0.02 |
| surface tension : | 61.6 ± 3.0 dyne/cm |
| density : | 1.330 ± 0.06 g/cm3 |
| polarizability : | 26.61 ± 0.5 10-24cm3 |
| XlogP : | -1.00 |
| XlogP3 : | 1.10 |
| molecular weight : | 246.2618600 |
| formula : | C13 H14 N2 O3 |
| BioActivity Analysis : | 101421 |
| NMR Predictor : | Predict |
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| export tariff code : | 2933.90.8300 |
| fda reg : | unspecified |
Suppliers :
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| Ajinomoto : | N-ACETYL-DL-TRYPTOPHAN
EP |
organoleptics :
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properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 205.00 °C. @ 760.00 mm Hg
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| boiling point : | 586.00 to 588.00 °C. @ 760.00 mm Hg
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| flash point : | 587.00 °F. TCC ( 308.33 °C. )
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| logP (o/w) : | 1.16 |
| shelf life : | 6.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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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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| recommendation for acetyl-dextro,laevo-tryptophan usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-acetamido-3-(1H-indol-3-yl)propanoic acid
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| (EINECS) number : | 201-739-3 |
| chemidplus : | 000087321 |
| EPA Substance Registry Services : | 87-32-1 |
| dtp/nci : | 49124 |
references :
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| | 2-acetamido-3-(1H-indol-3-yl)propanoic acid
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| NIST Chemistry WebBook : | 1717040986 |
| pubchem : | 208741 |
other :
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