3,4,5,6-tetrahydro-1H-1-benzazocin-2-one
3,4,5,6-tetrahydro-1H-1-benzazocin-2-one structure
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Common Name | 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one | ||
|---|---|---|---|---|
| CAS Number | 22246-75-9 | Molecular Weight | 175.22700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H13NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,4,5,6-tetrahydro-1H-1-benzazocin-2-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.
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.22700 |
| Exact Mass | 175.10000 |
| PSA | 32.59000 |
| LogP | 2.43660 |
| InChIKey | LROOVTDSEGKMHC-UHFFFAOYSA-N |
| SMILES | O=C1CCCCc2ccccc2N1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
3,4,5,6-tetrahy... CAS#:22246-75-9 |
| Literature: Ciba Geigy Corporation Patent: US4537885 A1, 1985 ; |
|
~84%
3,4,5,6-tetrahy... CAS#:22246-75-9 |
| Literature: Kenwright, Jayne L.; Galloway, Warren R. J. D.; Wortmann, Lars; Spring, David R. Synthetic Communications, 2013 , vol. 43, # 11 p. 1508 - 1516 |
|
~82%
3,4,5,6-tetrahy... CAS#:22246-75-9 |
| Literature: Richter, R.; Tucker, B.; Ulrich, H Journal of Organic Chemistry, 1983 , vol. <28> 48, # 101 p. 1694 - 1700 |
|
~59%
3,4,5,6-tetrahy... CAS#:22246-75-9 |
| Literature: Witosinska, Agnieszka; Musielak, Bogdan; Serda, Pawel; Owinska, Maria; Rys, Barbara Journal of Organic Chemistry, 2012 , vol. 77, # 21 p. 9784 - 9794 |
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~%
3,4,5,6-tetrahy... CAS#:22246-75-9 |
| Literature: Ikeda, Masazumi; Obata, Ken-Ichi; Oka, Jun-Ichiro; Ishibashi, Hiroyuki; Sato, Tatsunori Heterocycles, 1997 , vol. 44, # 1 p. 203 - 212 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:33494-18-7
CAS#:91167-28-1This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2,3,4,5,6-HEXAHYDRO-1-BENZAZOCIN-2-ONE |
| 7,8,9,10-Tetrahydrobenz<b>azocin-6-one |
| 1,2,3,4,5,6-hexahydro-1-benzoazocin-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: Molecular weight of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one is 175.22700. |
| Q: What is the InChIKey of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: InChIKey of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one is LROOVTDSEGKMHC-UHFFFAOYSA-N. |
| Q: What English synonyms does 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one have? |
| A: English synonyms of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one: 1,2,3,4,5,6-HEXAHYDRO-1-BENZAZOCIN-2-ONE, 7,8,9,10-Tetrahydrobenzazocin-6-one, 1,2,3,4,5,6-hexahydro-1-benzoazocin-2-one. |
| Q: What are the downstream products of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: Related downstream products(CAS) of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one: 33494-18-7;91167-28-1. |
| Q: What is the English name of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: The English name of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one is 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one. |
| Q: What is the CAS number of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: CAS number of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one is 22246-75-9. |
| Q: What is the SMILES notation of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: SMILES notation of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one is O=C1CCCCc2ccccc2N1. |
| Q: What is the polar surface area (PSA) of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: Polar surface area (PSA) of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one is 32.59000. |
| Q: What is the LogP of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: LogP of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one is 2.43660. |
| Q: What are the upstream materials of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one? |
| A: Related upstream materials(CAS) of 3,4,5,6-tetrahydro-1H-1-benzazocin-2-one: 90695-87-7;826-73-3;62297-15-8;32704-22-6. |