{"id":49353,"date":"2024-05-29T16:40:56","date_gmt":"2024-05-29T08:40:56","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49353"},"modified":"2024-05-29T16:40:56","modified_gmt":"2024-05-29T08:40:56","slug":"6-acetamidocaproic-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49353","title":{"rendered":"6-acetamidocaproic acid","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49352\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/12447e096c1a42b58932c91b038ca06f.gif\" width=\"359\" height=\"227\" alt=\"6-acetamidocaproic acid 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>018A<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C8H15NO3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>173.21<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         6-Aminocaproic acid<\/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>57-08-9<\/p>\n<p><b>MDL number:<\/b>MFCD00004424<\/p>\n<p><b>EINECS number:<\/b>200-310-8<\/p>\n<p><b>RTECS number:<\/b>None<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem ID:<\/b>None<\/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>Characteristics: white crystal  .  <\/SPAN><SPAN> <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)  \uff1a<\/SPAN><SPAN> <\/SPAN><SPAN>Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3.<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>104<\/SPAN><SPAN>\uff5e<\/SPAN><SPAN>105.5<\/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): 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><SPAN>7.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Refractive index: not  OK<\/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>): 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>Spontaneous ignition point or ignition  Combustion temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): not  OK<\/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>Water) partition coefficient pair  Value: Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>17.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Explosion upper limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): not  OK<\/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>): not  OK<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>19.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Solubility: Not available  Sure.  <\/SPAN><SPAN> <SPAN><\/SPAN>  <\/SPAN><\/P>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     None\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>44.30<\/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>161.1<\/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>405.2<\/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>\uff09\uff1a<\/SPAN><SPAN>39.9<\/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>17.56<\/SPAN><\/P>\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>Reference value for hydrophobic parameter calculation (<SPAN>XlogP<\/SPAN>):  <SPAN>0.1<\/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>2<\/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>3<\/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>6<\/SPAN><\/SPAN>  <SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Number of tautomers: <SPAN>2<\/SPAN><\/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>66.4<\/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>12<\/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>156<\/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>Uncertain number of stereocenters: <SPAN>0<\/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>1<\/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     <P class=\"MsoNormal\"><SPAN>This product should be kept sealed.  <\/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     <P><SPAN><SPAN><SPAN> <\/SPAN><\/SPAN><SPAN>Pharmaceutical intermediates.  <\/SPAN><SPAN> <\/SPAN><\/SPAN><\/P>\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/low-odor-catalyst-pt302-dabco-hard-foam-catalyst\/\">https:\/\/www.cyclohexylamine.net\/low-odor-catalyst-pt302-dabco-hard-foam-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/potassium-acetate\/\">https:\/\/www.bdmaee.net\/potassium-acetate\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/bismuth-neodecanoate-CAS34364-26-6-bismuth-neodecanoate.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/bismuth-neodecanoate-CAS34364-26-6-bismuth-neodecanoate.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/catalyst-9727\/\">https:\/\/www.bdmaee.net\/catalyst-9727\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-B-16-amine-catalyst-B16--B16.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-B-16-amine-catalyst-B16&#8211;B16.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1822\">https:\/\/www.newtopchem.com\/archives\/1822<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1141\">https:\/\/www.newtopchem.com\/archives\/1141<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/addocat-106-teda-l33b-dabco-polycat\/\">https:\/\/www.cyclohexylamine.net\/addocat-106-teda-l33b-dabco-polycat\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/40504\">https:\/\/www.newtopchem.com\/archives\/40504<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/polyurethane-catalyst-dabco-dc2-strong-gel-catalyst-dabco-dc2\/\">https:\/\/www.cyclohexylamine.net\/polyurethane-catalyst-dabco-dc2-strong-gel-catalyst-dabco-dc2\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 018A Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49352,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15449],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49353"}],"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=49353"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49353\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49352"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49353"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49353"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49353"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}