Introduction：Basic information about CAS 149-95-1|(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (S)-4-(2-amino-1-hydroxyethyl)pyrocatechol |
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| CAS Number | 149-95-1 | Molecular Weight | 169.17800 |
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| Density | 1.397g/cm3 | Boiling Point | 442.6ºC at 760mmHg |
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| Molecular Formula | C8H11NO3 | Melting Point | / |
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| MSDS | / | Flash Point | 221.5ºC |
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Names
| Name | (S)-4-(2-amino-1-hydroxyethyl)pyrocatechol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.397g/cm3 |
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| Boiling Point | 442.6ºC at 760mmHg |
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| Molecular Formula | C8H11NO3 |
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| Molecular Weight | 169.17800 |
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| Flash Point | 221.5ºC |
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| Exact Mass | 169.07400 |
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| PSA | 86.71000 |
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| LogP | 0.79020 |
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| Vapour Pressure | 1.3E-08mmHg at 25°C |
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| Index of Refraction | 1.659 |
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| InChIKey | SFLSHLFXELFNJZ-MRVPVSSYSA-N |
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| SMILES | NCC(O)c1ccc(O)c(O)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DN6125000
- CHEMICAL NAME :
- Benzyl alcohol, alpha-(aminomethyl)-3,4-dihydroxy-, (+)-
- CAS REGISTRY NUMBER :
- 149-95-1
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H11-N-O3
- MOLECULAR WEIGHT :
- 169.20
- WISWESSER LINE NOTATION :
- Z1YQR CQ DQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1400 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,502,1949
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - inflammation, necrosis, or scarring of bladder
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,502,1949
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Safety Information
Customs
| HS Code | 2922509090 |
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| Summary | 2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| pd 123,319 ditrifluoroacetate potent and selective |
| pd 123,319 |
| EINECS 205-750-4 |
