{"id":47841,"date":"2024-04-23T14:03:02","date_gmt":"2024-04-23T06:03:02","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47841"},"modified":"2024-04-23T14:03:02","modified_gmt":"2024-04-23T06:03:02","slug":"orphenamide","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47841","title":{"rendered":"Orphenamide","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47840\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/883bdf3b25d94fa6ac58ab463b4cd63d-5.gif\" width=\"227\" height=\"283\" alt=\"Orphenamide 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>0137<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C21H34NO3Br<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>428.40<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         2-([cyclohexylhydroxyphenylacetyl]oxy)-N,N-diethyl-N-methylethylammonium bromide,<\/p>\n<p>                         Anweiling,<\/p>\n<p>                         2-([Cyclohexylhydroxyphenylacetyl]oxy)-N,N-diethyl-N-methylethanaminium bromide,<\/p>\n<p>                         Oxyphenonium,<\/p>\n<p>                         Oxydianil Yellow,<\/p>\n<p>                         Antrenil,<\/p>\n<p>                         Antrenyl,<\/p>\n<p>                         antrenylbromide,<\/p>\n<p>                         oxifenon,<\/p>\n<p>                         oxyfenon,<\/p>\n<p>                         oxyphenon,<\/p>\n<p>                         2-(\u03b1-cyclohexylmandeloyloxy)ethyldiethyl(methyl)ammonium bromide<\/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>50-10-2<\/p>\n<p><b>MDL number:<\/b>MFCD00050259<\/p>\n<p><b>EINECS number:<\/b>200-010-7<\/p>\n<p><b>RTECS number:<\/b>BP7625000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24898019<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Character: Uncertain<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Density (<\/SPAN><SPAN>g\/mL,25\/4<\/SPAN><SPAN>\u2103<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Relative vapor density (<\/SPAN><SPAN>g\/mL,<\/SPAN><SPAN>AIR<\/SPAN><SPAN>=1<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Melting point (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC,<\/SPAN><SPAN>Normal pressure): Uncertain<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>6.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC, 5.2 kPa<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>7.<SPAN> <\/SPAN><\/SPAN>  <\/SPAN><SPAN>Refractive index:<\/SPAN><SPAN>Not sure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>8.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Flash Point (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>9.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Specific optical rotation (<\/SPAN><SPAN>\u00ba<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>10.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Autoignition point or ignition temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>11.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Vapor pressure (<\/SPAN><SPAN>kPa,25 \u00baC<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>12.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Saturated vapor pressure (<\/SPAN><SPAN>kPa,60 \u00baC<\/SPAN>  <SPAN>): Unsure<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>13.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Heat of combustion (<\/SPAN><SPAN>KJ\/mol<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>14.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Critical temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>15.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Critical pressure (<\/SPAN><SPAN>KPa<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>16.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Oil and water (octanol<\/SPAN><SPAN>\/<\/SPAN><SPAN>Log value of the partition coefficient for water: Uncertain<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>17.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Explosion limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>18.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Lower explosion limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>19.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Solubility:<\/SPAN><SPAN>Not sure<\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>1<\/SPAN><SPAN>, acute toxicity:  Human oral <SPAN>TDLo<\/SPAN>: <SPAN>357ug\/kg<\/SPAN>; Rat oral <SPAN>LD50<\/SPAN>  : <SPAN>995mg\/kg<\/SPAN>; Rat subcutaneous <SPAN>LD50<\/SPAN>: <SPAN>786mg\/kg<\/SPAN>;  Rat intravenous <SPAN>LD50<\/SPAN>: <SPAN>13200 ug\/kg<\/SPAN>; <\/SPAN><br \/>\n <SPAN>Rat intramuscular<SPAN>LD50<\/SPAN>: <SPAN>400mg\/kg<\/SPAN>; mouse abdominal cavity <SPAN>LD50<\/SPAN>: <SPAN>95mg\/kg<\/SPAN>; mouse subcutaneous <SPAN>LD50<\/SPAN>: <SPAN>350mg\/kg<\/SPAN>; mouse intravenous <SPAN>LD50<\/SPAN>: <SPAN>30mg\/kg<\/SPAN>; Rabbit subcutaneous <SPAN>LD50<\/SPAN>: <SPAN>  100mg\/kg<\/SPAN>;<\/SPAN><br \/>\n <SPAN>Rabbit Vein<SPAN>LD50<\/SPAN>: <SPAN>30mg\/kg<\/SPAN>; Guinea pig intravenous <SPAN>LDLo<\/SPAN>: <SPAN>40mg  \/kg<\/SPAN><\/SPAN>\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>\n     None\n     <\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Hydrophobic parameter calculation reference  Value (<SPAN>XlogP<\/SPAN>): <\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of hydrogen bond donors: <SPAN>1<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of hydrogen bond acceptors: <SPAN>4<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of rotatable chemical bonds: <SPAN>9<\/SPAN><\/SPAN>  <SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of tautomers:<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>6. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Topological molecular polar surface area (<SPAN>TPSA<\/SPAN>):<SPAN>46.5<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>7. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Number of heavy atoms: <SPAN>26<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>8.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Surface charge: <SPAN>0<\/SPAN><\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>9. <SPAN> <\/SPAN><\/SPAN><\/SPAN>  <SPAN>Complexity: <SPAN>409<\/SPAN><\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>10. <\/SPAN><\/SPAN><SPAN>Number of isotope atoms: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>11. <\/SPAN><\/SPAN><SPAN>Determine the number of atomic stereocenters: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>12. <\/SPAN><\/SPAN><SPAN>The number of uncertain atomic stereocenters: <SPAN>1<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>13. <\/SPAN><\/SPAN><SPAN>Determine the number of stereocenters of chemical bonds: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>14. <\/SPAN><\/SPAN><SPAN>Uncertain number of chemical bond stereocenters: <SPAN>0<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>15. <\/SPAN><\/SPAN><SPAN>Number of covalent bond units: <SPAN>2<\/SPAN><\/SPAN><\/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>\n     None\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     None\n     <\/p>\n<p>     extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2023\/02\/1-2-1.jpg<\/br>extended-reading:https:\/\/www.cyclohexylamine.net\/balance-catalyst-ne210-dabco-amine-catalyst\/<\/br>extended-reading:https:\/\/www.bdmaee.net\/polyurethane-catalyst-9727\/<\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Di-n-octyltin-dilaurate-CAS3648-18-8-DOTDL.pdf<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44980<\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/07\/2212.jpg<\/br>br&gt;extended-reading:https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/63<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44641<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/1808<\/br>extended-reading:https:\/\/www.bdmaee.net\/fascat-4224-catalyst\/<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 0137 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":47840,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15028],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47841"}],"collection":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/comments?post=47841"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47841\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/47840"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=47841"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=47841"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=47841"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}