7-butanoyl-4-methyl-1,4-benzoxazin-3-one
7-butanoyl-4-methyl-1,4-benzoxazin-3-one structure
|
Common Name | 7-butanoyl-4-methyl-1,4-benzoxazin-3-one | ||
|---|---|---|---|---|
| CAS Number | 116337-73-6 | Molecular Weight | 233.26300 | |
| Density | 1.169g/cm3 | Boiling Point | 487.2ºC at 760mmHg | |
| Molecular Formula | C13H15NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 248.5ºC | |
Summary: 7-Butanoyl-4-methyl-1,4-benzoxazin-3-one (CAS number: 116337-73-6), molecular formula C13H15NO3, molecular weight 233.26300. 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-4-methyl-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 | 1.169g/cm3 |
|---|---|
| Boiling Point | 487.2ºC at 760mmHg |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.26300 |
| Flash Point | 248.5ºC |
| Exact Mass | 233.10500 |
| PSA | 46.61000 |
| LogP | 2.08960 |
| Vapour Pressure | 1.21E-09mmHg at 25°C |
| Index of Refraction | 1.545 |
| InChIKey | UQLUXLRYULISKR-UHFFFAOYSA-N |
| SMILES | CCCC(=O)c1ccc2c(c1)OCC(=O)N2C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~82%
7-butanoyl-4-me... CAS#:116337-73-6 |
| Literature: Farmaco, , vol. 46, # 2 p. 339 - 355 |
|
~85%
7-butanoyl-4-me... CAS#:116337-73-6 |
| Literature: European Journal of Medicinal Chemistry, , vol. 24, p. 55 - 60 |
|
~%
7-butanoyl-4-me... CAS#:116337-73-6 |
| Literature: European Journal of Medicinal Chemistry, , vol. 24, p. 55 - 60 |
|
~%
7-butanoyl-4-me... CAS#:116337-73-6 |
| Literature: European Journal of Medicinal Chemistry, , vol. 24, p. 55 - 60 |
![1-[3-hydroxy-4-(methylamino)phenyl]butan-1-one structure](https://image.chemsrc.com/caspic/155/123172-48-5.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
![7-[2-(ethylsulfanylmethyl)butanoyl]-4-methyl-1,4-benzoxazin-3-one structure](https://image.chemsrc.com/caspic/189/135420-39-2.png)
CAS#:135420-39-2This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: Related upstream materials(CAS) of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one: 123172-48-5;79-04-9;105-36-2;21892-80-8;80427-93-6. |
| Q: What is the boiling point of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: Boiling point of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is 487.2ºC at 760mmHg. |
| Q: What is the CAS number of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: CAS number of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is 116337-73-6. |
| Q: What is the LogP of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: LogP of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is 2.08960. |
| Q: What are the downstream products of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: Related downstream products(CAS) of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one: 135420-39-2. |
| Q: What is the molecular weight of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: Molecular weight of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is 233.26300. |
| Q: What is the InChIKey of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: InChIKey of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is UQLUXLRYULISKR-UHFFFAOYSA-N. |
| Q: What is the English name of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: The English name of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is 7-butanoyl-4-methyl-1,4-benzoxazin-3-one. |
| Q: What is the molecular formula of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: Molecular formula of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is C13H15NO3. |
| Q: What is the polar surface area (PSA) of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one? |
| A: Polar surface area (PSA) of 7-butanoyl-4-methyl-1,4-benzoxazin-3-one is 46.61000. |