N-butan-2-yl-1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)isoquinoline-3-carboxamide
Modify Date: 2023-01-10 17:08:27
N-butan-2-yl-1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)isoquinoline-3-carboxamide structure
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Common Name | N-butan-2-yl-1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)isoquinoline-3-carboxamide | ||
|---|---|---|---|---|
| CAS Number | 109960-13-6 | Molecular Weight | 423.95800 | |
| Density | 1.2g/cm3 | Boiling Point | 605.6ºC at 760mmHg | |
| Molecular Formula | C23H22ClN3OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 320ºC | |
| Name | N-butan-2-yl-1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)isoquinoline-3-carboxamide |
|---|---|
| Synonym | More Synonyms |
| Density | 1.2g/cm3 |
|---|---|
| Boiling Point | 605.6ºC at 760mmHg |
| Molecular Formula | C23H22ClN3OS |
| Molecular Weight | 423.95800 |
| Flash Point | 320ºC |
| Exact Mass | 423.11700 |
| PSA | 77.65000 |
| LogP | 5.89870 |
| Vapour Pressure | 1.3E-14mmHg at 25°C |
| Index of Refraction | 1.62 |
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~86%
N-butan-2-yl-1-... CAS#:109960-13-6 |
| Literature: Newman; Lueddens; Skolnick; Rice Journal of Medicinal Chemistry, 1987 , vol. 30, # 10 p. 1901 - 1905 |
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| 3-Isoquinolinecarboxamide,1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)-N-(1-methylpropyl)-,(+-) |
| (+/-)-1-(2-chlorophenyl)-N-(1-methylpropyl)-N-(2-isothicyanatoethyl)-3-isoquinolinecarboxamide |
| 1-(2-Chlorophenyl)-N-ethylisothiocynato-N-(1-methylpropyl)-3-isoquinolinecarboxamide |
| Ahn 070 |