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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 : | 1218-34-4 |
| (EINECS) number : | 214-935-9 |
| molar refractivity : | 67.12 ± 0.3 cm3 |
| parachor : | 518.8 ± 4.0 cm3 |
| index of refraction : | 1.945 ± 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 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Ajinomoto : | N-ACETYL-L-TRYPTOPHAN
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| Penta : | acetyl-l-tryptophan
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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 |
| flash point : | not determined
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| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
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 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
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Intraperitoneal-Mouse 3580.00 mg/kg Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 635, 1980.
Oral-Mouse 10800.00 mg/kg Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 635, 1980.
Intraperitoneal-Rat 3900.00 mg/kg Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 635, 1980.
Oral-Rat 15000.00 mg/kg Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 635, 1980.
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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-laevo-tryptophan usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-acetamido-3-(1H-indol-3-yl)propanoic acid
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| (EINECS) number : | 214-935-9 |
| RTECS : | YN6160000 for 1218-34-4 |
| chemidplus : | 001218344 |
| EPA Substance Registry Services : | 1218-34-4 |
| dtp/nci : | 90726 |
references :
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| | 2-acetamido-3-(1H-indol-3-yl)propanoic acid
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| NIST Chemistry WebBook : | 1218344 |
| pubchem : | 157891 |
other :
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