Introduction：Basic information about CAS 16689-12-6|3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one |
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| CAS Number | 16689-12-6 | Molecular Weight | 289.41200 |
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| Density | 1.012g/cm3 | Boiling Point | 426.2ºC at 760 mmHg |
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| Molecular Formula | C18H27NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 211.6ºC |
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Names
| Name | 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.012g/cm3 |
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| Boiling Point | 426.2ºC at 760 mmHg |
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| Molecular Formula | C18H27NO2 |
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| Molecular Weight | 289.41200 |
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| Flash Point | 211.6ºC |
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| Exact Mass | 289.20400 |
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| PSA | 29.54000 |
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| LogP | 3.86210 |
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| Vapour Pressure | 1.8E-07mmHg at 25°C |
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| Index of Refraction | 1.514 |
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| InChIKey | XJLSIHLNCRSPKR-UHFFFAOYSA-N |
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| SMILES | CCCOc1ccc(C(=O)CCN2CCCCCC2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UH1856000
- CHEMICAL NAME :
- Propiophenone, 3-(hexahydro-1H-azepin-1-yl)-4'-propoxy-
- CAS REGISTRY NUMBER :
- 16689-12-6
- BEILSTEIN REFERENCE NO. :
- 0224069
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C18-H27-N-O2
- MOLECULAR WEIGHT :
- 289.46
- WISWESSER LINE NOTATION :
- T7NTJ A2VR DO3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 62 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 36,10,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 69500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 27,186,1964
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Safety Information
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
| Hexacaine |
| TG-16 |
| N-Hexamethyleneimino-p-propoxypropiophenone |
