N-(5-(tert-Butyl)isoxazol-3-yl)-2-chloroacetamide
Modify Date: 2025-09-14 18:27:22
N-(5-(tert-Butyl)isoxazol-3-yl)-2-chloroacetamide structure
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Common Name | N-(5-(tert-Butyl)isoxazol-3-yl)-2-chloroacetamide | ||
|---|---|---|---|---|
| CAS Number | 55809-27-3 | Molecular Weight | 216.66500 | |
| Density | 1.226g/cm3 | Boiling Point | 377.1ºC at 760 mmHg | |
| Molecular Formula | C9H13ClN2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 181.9ºC | |
| Name | N-(5-tert-butyl-1,2-oxazol-3-yl)-2-chloroacetamide |
|---|
| Density | 1.226g/cm3 |
|---|---|
| Boiling Point | 377.1ºC at 760 mmHg |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.66500 |
| Flash Point | 181.9ºC |
| Exact Mass | 216.06700 |
| PSA | 55.13000 |
| LogP | 2.22240 |
| Index of Refraction | 1.525 |
| InChIKey | MZAGTAPJCLVZHA-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(NC(=O)CCl)no1 |
| HS Code | 2934999090 |
|---|
|
~95%
N-(5-(tert-Buty... CAS#:55809-27-3 |
| Literature: MERCK PATENT GMBH Patent: WO2004/19941 A1, 2004 ; Location in patent: Page/Page column 158 ; WO 2004/019941 A1 |
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Name: Inhibition of EGFR-TK (unknown origin) relative to control
Source: ChEMBL
Target: Epidermal growth factor receptor
External Id: CHEMBL4672269
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|
Name: Inhibition of EGFR-TK (unknown origin) at 10 uM relative to control
Source: ChEMBL
Target: Epidermal growth factor receptor
External Id: CHEMBL4672237
|
|
Name: Antitumor activity against human MCF7 cells assessed as inhibition of cell viability ...
Source: ChEMBL
Target: MCF7
External Id: CHEMBL4672273
|
|
Name: Antitumor activity against human HCT-116 cells assessed as inhibition of cell viabili...
Source: ChEMBL
Target: HCT-116
External Id: CHEMBL4672272
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|
Name: Antitumor activity against human HepG2 cells assessed as inhibition of cell viability...
Source: ChEMBL
Target: HepG2
External Id: CHEMBL4672275
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