7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one
7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one structure
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Common Name | 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one | ||
|---|---|---|---|---|
| CAS Number | 116337-72-5 | Molecular Weight | 247.29000 | |
| Density | 1.109g/cm3 | Boiling Point | 432.8ºC at 760mmHg | |
| Molecular Formula | C14H17NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 215.5ºC | |
Summary: 7-Butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one (CAS号：116337-72-5), molecular formula C14H17NO3, molecular weight 247.29000, for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.109g/cm3 |
|---|---|
| Boiling Point | 432.8ºC at 760mmHg |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.29000 |
| Flash Point | 215.5ºC |
| Exact Mass | 247.12100 |
| PSA | 58.89000 |
| LogP | 2.86400 |
| Vapour Pressure | 1.08E-07mmHg at 25°C |
| Index of Refraction | 1.518 |
| InChIKey | JURWDUYEOLKWQH-UHFFFAOYSA-N |
| SMILES | CCCC(=O)c1ccc2c(c1)OC(C)(C)C(=O)N2 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~69%
7-butanoyl-2,2-... CAS#:116337-72-5 |
| Literature: Moussavi, Ziaeddine; Lesieur, Daniel; Lespagnol, Charles; Sauzieres, Jacques; Olivier, Philippe European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 55 - 60 |
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~%
7-butanoyl-2,2-... CAS#:116337-72-5 |
| Literature: Moussavi, Ziaeddine; Lesieur, Daniel; Lespagnol, Charles; Sauzieres, Jacques; Olivier, Philippe European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 55 - 60 |
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~%
7-butanoyl-2,2-... CAS#:116337-72-5 |
| Literature: Moussavi, Ziaeddine; Lesieur, Daniel; Lespagnol, Charles; Sauzieres, Jacques; Olivier, Philippe European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 55 - 60 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: InChIKey of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is JURWDUYEOLKWQH-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: Polar surface area (PSA) of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is 58.89000. |
| Q: What is the boiling point of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: Boiling point of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is 432.8ºC at 760mmHg. |
| Q: What is the LogP of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: LogP of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is 2.86400. |
| Q: What is the Chinese name of 116337-72-5? |
| A: Chinese name of 116337-72-5 is 116337-72-5. |
| Q: What is the English name of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: The English name of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one. |
| Q: What is the CAS number of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: CAS number of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is 116337-72-5. |
| Q: What is the SMILES notation of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: SMILES notation of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is CCCC(=O)c1ccc2c(c1)OC(C)(C)C(=O)N2. |
| Q: What is the molecular formula of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: Molecular formula of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is C14H17NO3. |
| Q: What is the molecular weight of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one? |
| A: Molecular weight of 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one is 247.29000. |