(E)-1-TERT-BUTYL4-ETHYL2,3,6,7-TETRAHYDROAZEPINE-1,4-DICARBOXYLATE
(E)-1-TERT-BUTYL4-ETHYL2,3,6,7-TETRAHYDROAZEPINE-1,4-DICARBOXYLATE structure
|
Common Name | (E)-1-TERT-BUTYL4-ETHYL2,3,6,7-TETRAHYDROAZEPINE-1,4-DICARBOXYLATE | ||
|---|---|---|---|---|
| CAS Number | 913181-90-5 | Molecular Weight | 316.191 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 438.3±40.0 °C at 760 mmHg | |
| Molecular Formula | C13H18BrNO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 218.9±27.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 438.3±40.0 °C at 760 mmHg |
| Molecular Formula | C13H18BrNO3 |
| Molecular Weight | 316.191 |
| Flash Point | 218.9±27.3 °C |
| Exact Mass | 315.046997 |
| PSA | 58.56000 |
| LogP | 3.10 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.548 |
| InChIKey | CHWSLNCYQOYQKD-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)NCC(O)c1ccc(Br)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
![tert-Butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate structure](https://image.chemsrc.com/caspic/361/339185-70-5.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| qc-7805 |
| Carbamic acid, N-[2-(4-bromophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester |
| 2-Methyl-2-propanyl [2-(4-bromophenyl)-2-hydroxyethyl]carbamate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: CAS number of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is 913181-90-5. |
| Q: What is the LogP of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: LogP of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is 3.10. |
| Q: What is the polar surface area (PSA) of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: Polar surface area (PSA) of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is 58.56000. |
| Q: What is the molecular weight of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: Molecular weight of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is 316.191. |
| Q: What is the English name of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: The English name of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate. |
| Q: What is the InChIKey of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: InChIKey of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is CHWSLNCYQOYQKD-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: SMILES notation of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NCC(O)c1ccc(Br)cc1. |
| Q: What English synonyms does tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate have? |
| A: English synonyms of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate: qc-7805, Carbamic acid, N-[2-(4-bromophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester, 2-Methyl-2-propanyl [2-(4-bromophenyl)-2-hydroxyethyl]carbamate. |
| Q: What is the molecular formula of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: Molecular formula of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate is C13H18BrNO3. |
| Q: What are the upstream materials of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate? |
| A: Related upstream materials(CAS) of tert-butyl N-[2-(4-bromophenyl)-2-hydroxyethyl]carbamate: 339185-70-5;24424-99-5;5467-72-1. |
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. |