2-[2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
Modify Date: 2024-04-03 20:34:28
![2-[2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Structure](https://image.chemsrc.com/caspic/222/89177-61-7.png)
2-[2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid structure
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Common Name | 2-[2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid | ||
|---|---|---|---|---|
| CAS Number | 89177-61-7 | Molecular Weight | 265.32800 | |
| Density | 1.27g/cm3 | Boiling Point | 564.2ºC at 760 mmHg | |
| Molecular Formula | C13H15NO3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 295ºC | |
| Name | 2-[2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.27g/cm3 |
|---|---|
| Boiling Point | 564.2ºC at 760 mmHg |
| Molecular Formula | C13H15NO3S |
| Molecular Weight | 265.32800 |
| Flash Point | 295ºC |
| Exact Mass | 265.07700 |
| PSA | 96.41000 |
| LogP | 1.66140 |
| Index of Refraction | 1.587 |
| InChIKey | POKJPDPLOMMJRU-UHFFFAOYSA-N |
| SMILES | O=C(O)CN1C(=O)C(CS)CCc2ccccc21 |
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2-[2-oxo-3-(sul... CAS#:89177-61-7 |
| Literature: Watthey, Jeffrey W. H.; Gavin, Terrence; Desai, Mahesh Journal of Medicinal Chemistry, 1984 , vol. 27, # 6 p. 816 - 818 |
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2-[2-oxo-3-(sul... CAS#:89177-61-7 |
| Literature: Watthey, Jeffrey W. H.; Gavin, Terrence; Desai, Mahesh Journal of Medicinal Chemistry, 1984 , vol. 27, # 6 p. 816 - 818 |
|
~%
2-[2-oxo-3-(sul... CAS#:89177-61-7 |
| Literature: Watthey, Jeffrey W. H.; Gavin, Terrence; Desai, Mahesh Journal of Medicinal Chemistry, 1984 , vol. 27, # 6 p. 816 - 818 |
| Precursor 1 | |
|---|---|
| DownStream 0 | |
| 1-Cmtbao |
| 1H-1-Benzazepine-1-aceticacid,2,3,4,5-tetrahydro-3-(mercaptomethyl)-2-oxo |
| 3-(mercaptomethyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid |