{"id":47927,"date":"2024-04-24T14:05:04","date_gmt":"2024-04-24T06:05:04","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47927"},"modified":"2024-04-24T14:05:04","modified_gmt":"2024-04-24T06:05:04","slug":"carbamoyl","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47927","title":{"rendered":"carbamoyl","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47926\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/1d1dde9a6e5c43dea5c72867d5a15a39.gif\" width=\"292\" height=\"227\" alt=\"Carbamoyl structural formula\" \/><\/p>\n<p>Structural formula<\/p>\n<table class=\"summary-table table table-striped table-bordered\">\n<col width=\"90\" \/>\n<tbody>\n<tr>\n<th scope=\"row\">Business number<\/th>\n<td>01FU<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C10H12N4O3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>236.23<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         Anluoxue,<\/p>\n<p>                         adrenochrome semicarbazone,<\/p>\n<p>                         carrosalonate,<\/p>\n<p>                         Kabaklo,<\/p>\n<p>                         Racemic-1-methyl-hydroxy-5,6-ketomethylhydroindole monosemicarbazone,<\/p>\n<p>                         adrenocarbazone<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul class=\"nav nav-tabs\">\n<li class=\"active\"><a href=\"#bh\">Numbering system<\/a><\/li>\n<li><a href=\"#wx\">Physical property data<\/a><\/li>\n<li><a href=\"#dl\">Toxicological data<\/a><\/li>\n<li><a href=\"#st\">Ecological data<\/a><\/li>\n<li><a href=\"#fz\">Molecular structure data<\/a><\/li>\n<li><a href=\"#js\">Computing chemical data<\/a><\/li>\n<li class=\"dropdown pull-right\">\n                     <a href=\"\" class=\"dropdown-toggle\">More <span class=\"caret\"><\/span><\/a><\/p>\n<ul class=\"dropdown-menu\" role=\"menu\">\n<li><a href=\"#xz\">Properties and Stability<\/a><\/li>\n<li><a href=\"#zc\">Storage method<\/a><\/li>\n<li><a href=\"#hc\">Synthesis method<\/a><\/li>\n<li><a href=\"#yt\">Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h2 id=\"bh\">Numbering system<\/h2>\n<p><b>CAS number:<\/b>69-81-8<\/p>\n<p><b>MDL number:<\/b>MFCD00059705<\/p>\n<p><b>EINECS number:<\/b>200-717-0<\/p>\n<p><b>RTECS number:<\/b>NM1925500<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24891027<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: orange-red crystals or crystalline powder.  <\/p>\n<p>2. Density (g\/mL, 25\/4\u2103): Undetermined<\/p>\n<p>3. Relative vapor density (g\/mL, air=1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): 220\u2103 (decomposition)<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/p>\n<p>6. Boiling point (\u00baC, 5.2kPa  ): Not determined<\/p>\n<p>7. Refractive index: Not determined<\/p>\n<p>8. Flash point (\u00baC): Not determined<\/p>\n<p>9. Specific rotation (\u00ba)  : Undetermined<\/p>\n<p>10. Autoignition point or ignition temperature (\u00baC): Undetermined<\/p>\n<p>11. Vapor pressure (kPa, 25\u00baC): Undetermined<\/p>\n<p>  12. Saturated vapor pressure (kPa, 60\u00baC): Undetermined<\/p>\n<p>13. Heat of combustion (KJ\/mol): Undetermined<\/p>\n<p>14. Critical temperature (\u00baC): Undetermined<\/p>\n<p>15. Critical pressure (KPa): Undetermined<\/p>\n<p>16. Log value of oil-water (octanol\/water) partition coefficient: Undetermined<\/p>\n<p>17. Explosion  Upper limit (%, V\/V): Undetermined<\/p>\n<p>18. Lower explosion limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility: Slightly soluble in water and ethanol  , insoluble in ether and chloroform.  Its salicylic acid sodium salt ([1305-01-9]) is an orange-red powder with a melting point of 196-197.5\u00b0C (decomposition). Its solubility in water is 0.61 mg\/ml at 25\u00b0C. It is insoluble in ether, chloroform, and 10% aqueous solution.  The pH value is 6.7-7.3.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     Acute toxicity: Rat oral LD50: &gt;17280 ug\/kg; Rat intraperitoneal LD50: 1276 mg\/kg; Rat subcutaneous injection LD50: &gt;12500 mg\/kg; Mouse oral LD50: &gt;35832 mg\/kg;  Mouse intraperitoneal LD50: 2413 mg\/kg; Mouse subcutaneous injection LD50: &gt;10 mg\/kg;\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 57.88<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 144.5<\/p>\n<p>3. Isotonic specific volume (90.2K): 421.1<\/p>\n<p>4. Surface tension (dyne\/cm): 71.9<\/p>\n<p>5. Polarizability (10-24cm3): 22.94<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Hydrophobic parameter calculation reference value (XlogP): -1.6<\/p>\n<p>2. Number of hydrogen bond donors: 3<\/p>\n<p>3. Number of hydrogen bond acceptors: 5<\/p>\n<p>  p&gt;<\/p>\n<p>4. Number of rotatable chemical bonds: 1<\/p>\n<p>5. Number of tautomers: 7<\/p>\n<p>6. Topological molecular polar surface area (TPSA): 108<\/p>\n<p>7. Number of heavy atoms: 17<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 478<\/p>\n<p>10. Isotopic atoms  Quantity: 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12. Uncertain number of atomic stereocenters: 1<\/p>\n<p>13. Determine the chemical bond structure  Number of stereocenters: 1<\/p>\n<p>14. Number of uncertain chemical bond stereocenters: 0<\/p>\n<p>15. Number of covalent bond units: 1<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p><p>Seal and store in a dry place below 0\u2103.  <\/p>\n<\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p><p>Adrenaline hydrochloride is obtained by oxidation, cyclization and condensation.  <\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Hemostatic drugs.  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