Ethyl 4-(1,4-diazepan-1-yl)benzoate
Ethyl 4-(1,4-diazepan-1-yl)benzoate structure
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Common Name | Ethyl 4-(1,4-diazepan-1-yl)benzoate | ||
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| CAS Number | 234081-75-5 | Molecular Weight | 248.32100 | |
| Density | 1.08g/cm3 | Boiling Point | 403.2ºC at 760mmHg | |
| Molecular Formula | C14H20N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 197.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 4-(1,4-diazepan-1-yl)benzoate |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.08g/cm3 |
|---|---|
| Boiling Point | 403.2ºC at 760mmHg |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.32100 |
| Flash Point | 197.6ºC |
| Exact Mass | 248.15200 |
| PSA | 41.57000 |
| LogP | 2.05680 |
| Vapour Pressure | 1.04E-06mmHg at 25°C |
| Index of Refraction | 1.528 |
| InChIKey | CPZYWQDZBRVMRS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(N2CCCNCC2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
Ethyl 4-(1,4-di... CAS#:234081-75-5 |
| Literature: ASTRAZENECA AB Patent: US2008/153812 A1, 2008 ; Location in patent: Page/Page column 140; 149-150 ; US 20080153812 A1 |
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~76%
Ethyl 4-(1,4-di... CAS#:234081-75-5 |
| Literature: Saito, Keiji; Nakao, Akira; Shinozuka, Tsuyoshi; Shimada, Kousei; Matsui, Satoshi; Oizumi, Kiyoshi; Yano, Kazuki; Ohata, Keiko; Nakai, Daisuke; Nagai, Yoko; Naito, Satoru Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 7 p. 1628 - 1642 |
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~%
Ethyl 4-(1,4-di... CAS#:234081-75-5 |
| Literature: Saito, Keiji; Nakao, Akira; Shinozuka, Tsuyoshi; Shimada, Kousei; Matsui, Satoshi; Oizumi, Kiyoshi; Yano, Kazuki; Ohata, Keiko; Nakai, Daisuke; Nagai, Yoko; Naito, Satoru Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 7 p. 1628 - 1642 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: SMILES notation of Ethyl 4-(1,4-diazepan-1-yl)benzoate is CCOC(=O)c1ccc(N2CCCNCC2)cc1. |
| Q: What is the molecular formula of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: Molecular formula of Ethyl 4-(1,4-diazepan-1-yl)benzoate is C14H20N2O2. |
| Q: What is the boiling point of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: Boiling point of Ethyl 4-(1,4-diazepan-1-yl)benzoate is 403.2ºC at 760mmHg. |
| Q: What is the English name of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: The English name of Ethyl 4-(1,4-diazepan-1-yl)benzoate is Ethyl 4-(1,4-diazepan-1-yl)benzoate. |
| Q: What is the polar surface area (PSA) of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: Polar surface area (PSA) of Ethyl 4-(1,4-diazepan-1-yl)benzoate is 41.57000. |
| Q: What are the upstream materials of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: Related upstream materials(CAS) of Ethyl 4-(1,4-diazepan-1-yl)benzoate: 505-66-8;451-46-7;112275-50-0. |
| Q: What is the molecular weight of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: Molecular weight of Ethyl 4-(1,4-diazepan-1-yl)benzoate is 248.32100. |
| Q: What is the LogP of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: LogP of Ethyl 4-(1,4-diazepan-1-yl)benzoate is 2.05680. |
| Q: What is the InChIKey of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: InChIKey of Ethyl 4-(1,4-diazepan-1-yl)benzoate is CPZYWQDZBRVMRS-UHFFFAOYSA-N. |
| Q: What is the CAS number of Ethyl 4-(1,4-diazepan-1-yl)benzoate? |
| A: CAS number of Ethyl 4-(1,4-diazepan-1-yl)benzoate is 234081-75-5. |
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. |