Introduction：Basic information about CAS 91-79-2|thenyldiamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | thenyldiamine |
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| CAS Number | 91-79-2 | Molecular Weight | 261.38600 |
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| Density | 1.1388 (rough estimate) | Boiling Point | 169-172ºC at 1.0 MM HG |
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| Molecular Formula | C14H19N3S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1388 (rough estimate) |
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| Boiling Point | 169-172ºC at 1.0 MM HG |
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| Molecular Formula | C14H19N3S |
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| Molecular Weight | 261.38600 |
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| Exact Mass | 261.13000 |
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| PSA | 47.61000 |
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| LogP | 2.71130 |
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| Index of Refraction | nD20 1.5915 |
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| InChIKey | RCGYDFVCAAKKNG-UHFFFAOYSA-N |
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| SMILES | CN(C)CCN(Cc1ccsc1)c1ccccn1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UT1575000
- CHEMICAL NAME :
- Pyridine, 2-((2-(dimethylamino)ethyl)-3-thenylamino)-
- CAS REGISTRY NUMBER :
- 91-79-2
- BEILSTEIN REFERENCE NO. :
- 0221267
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H19-N3-S
- MOLECULAR WEIGHT :
- 261.42
- WISWESSER LINE NOTATION :
- T6NJ BN2N1&1&1- CT5SJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - hallucinations, distorted perceptions Gastrointestinal - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 77 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
MUTATION DATA - TYPE OF TEST :
- DNA adduct
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 30 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 89,95,1981
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Synonyms
| Tenildiamina [INN-Spanish] |
| Tenfidil |
| Thenyldiaminum [INN-Latin] |
| Thefanil |
| Thenyldiamine |
| Thenyldiamine (pharmaceutical) |
| N,N-dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-ethylenediamine |
| Thenfadil |
| Dethylandiamine |
| Thenyldiamin |
| N,N-Dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-aethylendiamin |
