Introduction:Basic information about CAS 3194-43-2|1H-Azepine-1-butanenitrile,hexahydro-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1H-Azepine-1-butanenitrile,hexahydro- |
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| CAS Number | 3194-43-2 | Molecular Weight | 166.26300 |
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| Density | 0.927g/cm3 | Boiling Point | 287.6ºC at 760mmHg |
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| Molecular Formula | C10H18N2 | Melting Point | / |
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| MSDS | / | Flash Point | 117.7ºC |
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Names
| Name | 4-(azepan-1-yl)butanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.927g/cm3 |
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| Boiling Point | 287.6ºC at 760mmHg |
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| Molecular Formula | C10H18N2 |
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| Molecular Weight | 166.26300 |
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| Flash Point | 117.7ºC |
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| Exact Mass | 166.14700 |
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| PSA | 27.03000 |
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| LogP | 2.10408 |
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| Index of Refraction | 1.467 |
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| InChIKey | OQPSAQBHEQYYMJ-UHFFFAOYSA-N |
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| SMILES | N#CCCCN1CCCCCC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EU0270000
- CHEMICAL NAME :
- Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-
- CAS REGISTRY NUMBER :
- 3194-43-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H18-N2
- MOLECULAR WEIGHT :
- 166.30
- WISWESSER LINE NOTATION :
- T7NTJ A3CN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 42 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07825
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Safety Information
| Risk Phrases | 20/21/22-36/38 |
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| Safety Phrases | 26-36/37/39 |
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| RIDADR | UN 3276 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| EINECS 221-694-3 |
| Hexahydro-1H-azepine-1-butyronitrile |
| 1H-Azepine-1-butyronitrile,hexahydro |