Introduction：Basic information about CAS 25646-71-3|2-[(4-Amino-3-methylphenyl)ethylamino]ethyl sulfate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-[(4-Amino-3-methylphenyl)ethylamino]ethyl sulfate |
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| CAS Number | 25646-71-3 | Molecular Weight | 836.994 |
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| Density | 1.204g/cm3 | Boiling Point | 455ºC at 760mmHg |
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| Molecular Formula | C12H21N3O2S | Melting Point | 168 - 169ºC |
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| MSDS | / | Flash Point | 229ºC |
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Names
| Name | 2-[(4-Amino-3-methylphenyl)ethylamino]ethyl sulfate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.204g/cm3 |
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| Boiling Point | 455ºC at 760mmHg |
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| Melting Point | 168 - 169ºC |
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| Molecular Formula | C12H21N3O2S |
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| Molecular Weight | 836.994 |
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| Flash Point | 229ºC |
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| Exact Mass | 836.173035 |
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| PSA | 83.81000 |
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| LogP | 3.00560 |
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| Vapour Pressure | 2.88E-16mmHg at 25°C |
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| InChIKey | NPDFXFLCEDDWEG-UHFFFAOYSA-N |
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| SMILES | CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1.CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- PB0431000
- CAS REGISTRY NUMBER :
- 25646-71-3
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C12-H21-N3-O2-S.3/2H2-O4-S
- MOLECULAR WEIGHT :
- 418.49
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 152 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 457 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - ataxia Behavioral - muscle contraction or spasticity
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(9),71,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 220 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - ataxia Behavioral - muscle contraction or spasticity
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(9),71,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 385 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - ataxia Behavioral - muscle contraction or spasticity
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(9),71,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2788 mg/kg/61D-I
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in erythrocyte (RBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(9),71,1986
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Safety Information
| Hazard Codes | T,N,Xn |
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| Risk Phrases | 25-36/37/38-43-50/53-22-34-23/24/25 |
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| Safety Phrases | 26-36/37-45-61-60-37-24-36/37/39-27 |
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| RIDADR | UN 2811 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | PB0431000 |
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Synonyms
| N4-ETHYL-N4-(2-METHYL-*SULFONAMIDOETHYL)-2-METHYL-1 |
| fcd03 |
| EINECS 247-161-5 |
| N-(2-((4-Amino-3-methylphenyl)(ethyl)amino)ethyl)methanesulfonamide sulfate(2:3) |
| cdiii |
| N-{2-[(4-Amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide sulfate (2:3) |
| MFCD00051413 |
| cd003 |
| 70CDC |
| kodakcd-3 |
| p-phenylenediamine methanesulfonamide derivative |
| Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-, sulfate (2:3) |
| CD-3 |
