Introduction：Basic information about CAS 60573-88-8|ibotenic acid monohydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ibotenic acid monohydrate |
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| CAS Number | 60573-88-8 | Molecular Weight | 176.12700 |
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| Density | 1.621g/cm3 | Boiling Point | / |
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| Molecular Formula | C5H8N2O5 | Melting Point | 148-151ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | (‘±)-Ibotenic acid monohydrate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.621g/cm3 |
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| Melting Point | 148-151ºC |
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| Molecular Formula | C5H8N2O5 |
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| Molecular Weight | 176.12700 |
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| Exact Mass | 176.04300 |
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| PSA | 118.55000 |
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| Appearance of Characters | Powder or Solid | White to off-white to light yellow |
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| Index of Refraction | 1.588 |
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| InChIKey | QVKQQLYSTODTJN-UHFFFAOYSA-N |
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| SMILES | NC(C(=O)O)c1cc(=O)[nH]o1.O |
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| Storage condition | Freezer (-20°C) |
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| Water Solubility | NH4OH 1 M: 50 mg/mL, clear, colorless to yellow |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY2100000
- CHEMICAL NAME :
- 5-Isoxazoleacetic acid, alpha-amino-3-hydroxy-, monohydrate
- CAS REGISTRY NUMBER :
- 60573-88-8
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C5-H6-N2-O4.H2-O
- MOLECULAR WEIGHT :
- 176.15
- WISWESSER LINE NOTATION :
- T5NOJ CYZVQ EQ &QH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 129 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 42 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 38 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968 *** REVIEWS *** TOXICOLOGY REVIEW LLOYA2 Lloydia. (Cincinnati, OH) V.1-41, 1938-78. For publisher information, see JNPRDF. Volume(issue)/page/year: 38,36,1975
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Safety Information
| Hazard Codes | T |
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| Risk Phrases | 25 |
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| Safety Phrases | 22-36/37/39-45 |
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| RIDADR | UN 3462 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | NY2100000 |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| EINECS 218-853-4 |
| 2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid,hydrate |
| MFCD00150903 |
