8-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one
![8-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one Structure](https://image.chemsrc.com/caspic/155/974-41-4.png)
8-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one structure
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Common Name | 8-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one | ||
|---|---|---|---|---|
| CAS Number | 974-41-4 | Molecular Weight | 321.4 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 451.4±45.0 °C at 760 mmHg | |
| Molecular Formula | C20H23N3O | Melting Point | 232-238ºC | |
| MSDS | N/A | Flash Point | 226.8±28.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 451.4±45.0 °C at 760 mmHg |
| Melting Point | 232-238ºC |
| Molecular Formula | C20H23N3O |
| Molecular Weight | 321.4 |
| Flash Point | 226.8±28.7 °C |
| Exact Mass | 321.184112366 |
| PSA | 35.58000 |
| LogP | 0.09 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.616 |
| InChIKey | QMECPMOWMNRLSL-UHFFFAOYSA-N |
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4=CC=CC=C4 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 974-41-4: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 538 deg C @760mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 279 deg C ( 534.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: slightly soluble Specific Gravity/Density: Molecular Formula: C20H23N3O Molecular Weight: 321.42 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 974-41-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 8-Benzyl-4-oxo-phenyl-1,3,8-triazaspiro[4, 5]decane - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 974-41-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 974-41-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 974-41-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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8-Benzyl-1,3,8-... CAS#:974-41-4 |
| Literature: Journal of Medicinal Chemistry, , vol. 51, # 2 p. 238 - 250 |
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8-Benzyl-1,3,8-... CAS#:974-41-4 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 2 p. 349 - 353 |
![1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one structure](https://image.chemsrc.com/caspic/259/1021-25-6.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 8-benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one |
| 8-Benzyl-1-oxo-4-phenyl-2,4,8-triazaspiro<4.5>decan |
| 8-Benzyl-1,3,8-triazaspiro[4.5]decan-4-one |
| 8-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one have? |
| A: English synonyms of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one: 8-benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one, 8-Benzyl-1-oxo-4-phenyl-2,4,8-triazaspirodecan, 8-Benzyl-1,3,8-triazaspiro[4.5]decan-4-one, 8-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one. |
| Q: What is the polar surface area (PSA) of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: Polar surface area (PSA) of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is 35.58000. |
| Q: What is the LogP of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: LogP of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is 0.09. |
| Q: What is the CAS number of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: CAS number of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is 974-41-4. |
| Q: What are the upstream materials of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: Related upstream materials(CAS) of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one: 1096-03-3;77287-34-4;100-52-7;1021-25-6. |
| Q: What is the molecular weight of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: Molecular weight of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is 321.4. |
| Q: What is the SMILES notation of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: SMILES notation of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4=CC=CC=C4. |
| Q: What is the English name of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: The English name of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one. |
| Q: What is the melting point of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: Melting point of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is 232-238ºC. |
| Q: What is the boiling point of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one? |
| A: Boiling point of 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is 451.4±45.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |