{"id":48776,"date":"2024-05-15T17:51:50","date_gmt":"2024-05-15T09:51:50","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48776"},"modified":"2024-05-15T17:51:50","modified_gmt":"2024-05-15T09:51:50","slug":"n-2-chloroethyldibenzylamine-hydrochloride","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48776","title":{"rendered":"N-(2-chloroethyl)dibenzylamine hydrochloride","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48775\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/ee7f07bef46046628707ad3f55d3f046.gif\" width=\"312\" height=\"227\" alt=\"N-(2-chloroethyl)dibenzylamine hydrochloride 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>016U<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C16H18ClN\u00b7HCl<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>296.23<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         Dibenzylaminoethane chloride hydrochloride<\/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>55-43-6<\/p>\n<p><b>MDL number:<\/b>MFCD00012518<\/p>\n<p><b>EINECS number:<\/b>200-234-5<\/p>\n<p><b>RTECS number:<\/b>HQ6825000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24857529<\/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:<\/SPAN><SPAN>White crystalline powder.  <\/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>):<\/SPAN><SPAN> <SPAN> <\/SPAN><\/SPAN><SPAN>1.250<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3.<SPAN>\u00a0<\/SPAN><\/SPAN><\/SPAN><SPAN>Relative vapor density (<\/SPAN><SPAN>g\/mL,<\/SPAN><SPAN>air<\/SPAN><SPAN>=1<\/SPAN><SPAN>): Undetermined<\/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>): <\/SPAN><SPAN> <SPAN> <\/SPAN>  SPAN&gt;<SPAN>192<\/SPAN><\/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): <\/SPAN><SPAN> <\/SPAN><SPAN>Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>6.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC,5.2kPa<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>7.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Refractive index:<\/SPAN><SPAN> <\/SPAN><SPAN>Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>8.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Flashpoint (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): <\/SPAN><SPAN> <\/SPAN><SPAN>Undetermined<\/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>): Undetermined<\/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>): Undetermined<\/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>): Undetermined<\/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>): Undetermined<\/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>): Undetermined<\/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>): Undetermined<\/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>): Undetermined<\/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 water) partition coefficient: Undetermined<\/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>): Undetermined<\/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>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>19.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Solubility:<\/SPAN><SPAN>Stable in acidic solutions, but rapidly destroyed in neutral or alkaline solutions.  Soluble in dilute acid, <\/SPAN><SPAN>95%<\/SPAN><SPAN>Ethanol and propylene glycol are almost insoluble in water.  <\/SPAN><SPAN><\/SPAN>  <\/P>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>1<\/SPAN><SPAN>, acute toxicity: mouse abdominal cavity <SPAN>LD50<\/SPAN>: <SPAN>75mg\/kg<\/SPAN>; mouse subcutaneous <SPAN>LD50<\/SPAN>: <SPAN>400mg\/kg<\/SPAN>; mouse intravenous<SPAN>LD50<\/SPAN>: <SPAN>50mg\/kg<\/SPAN>; Feline vein <SPAN>LDLo<\/SPAN>: <SPAN>35mg\/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     <P class=\"MsoNormal\" align=\"left\"><SPAN>5. Molecular property data:<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar refractive index:<\/SPAN><SPAN>78.12  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar volume (<\/SPAN><SPAN>m<SUP>3<\/SUP>\/mol<\/SPAN><SPAN>\uff09\uff1a<\/SPAN><SPAN>234.6<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>isotonic specific volume (<\/SPAN><SPAN>90.2K<\/SPAN><SPAN>):<\/SPAN><SPAN>599.7<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Surface Tension (<\/SPAN><SPAN>dyne\/cm<\/SPAN><SPAN>):<\/SPAN><SPAN>42.7<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Polarizability<\/SPAN><SPAN>\uff08<\/SPAN><SPAN>10<SUP>-24<\/SUP>cm<SUP>3<\/SUP><\/SPAN><SPAN>): <\/SPAN><SPAN>30.97<\/SPAN><\/P>\n     <\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): None<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 1<\/p>\n<p>3. Number of hydrogen bond acceptors: 1<\/p>\n<p>4. Number of rotatable chemical bonds: 6<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 3.2<\/p>\n<p>7. Number of heavy atoms: 19<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 187<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12. Uncertain number of atomic stereocenters: 0<\/p>\n<p>13. Determine the number of chemical bond stereocenters: 0  <\/p>\n<p>14.NoDetermine the number of stereocenters of chemical bonds: 0<\/p>\n<p>15. The number of covalent bond units: 2<\/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     <P class=\"MsoNormal\"><SPAN>This product should be sealed and stored in a cool place.  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     <SPAN>For biochemical research.  medicine.  <\/SPAN><SPAN><SPAN> <\/SPAN><\/SPAN>\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/37-5.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/37-5.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/tris3-dimethylaminopropylamine-2\/\">https:\/\/www.bdmaee.net\/tris3-dimethylaminopropylamine-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/toyocat-dmch-hard-bubble-catalyst-for-tertiary-amine-tosoh\/\">https:\/\/www.bdmaee.net\/toyocat-dmch-hard-bubble-catalyst-for-tertiary-amine-tosoh\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/820\">https:\/\/www.newtopchem.com\/archives\/820<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-T-12-tin-catalyst-NT-CAT-T-120--T-12.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-T-12-tin-catalyst-NT-CAT-T-120&#8211;T-12.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/40275\">https:\/\/www.newtopchem.com\/archives\/40275<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dabco-ne1060-non-emissive-polyurethane-catalyst\/\">https:\/\/www.cyclohexylamine.net\/dabco-ne1060-non-emissive-polyurethane-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/fascat2004-catalyst-cas7772-99-8-stannous-chloride\/\">https:\/\/www.bdmaee.net\/fascat2004-catalyst-cas7772-99-8-stannous-chloride\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1880\">https:\/\/www.newtopchem.com\/archives\/1880<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-ncm-catalyst-cas110-18-9-evonik-germany\/\">https:\/\/www.bdmaee.net\/dabco-ncm-catalyst-cas110-18-9-evonik-germany\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 016U Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48775,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15302],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48776"}],"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=48776"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48776\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48775"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48776"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48776"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48776"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}