{"id":48045,"date":"2024-04-25T16:02:57","date_gmt":"2024-04-25T08:02:57","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48045"},"modified":"2024-04-25T16:02:57","modified_gmt":"2024-04-25T08:02:57","slug":"acre-hydrochloride","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48045","title":{"rendered":"Acre hydrochloride","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48044\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/7f999fbb82f24c5fae5a970f5c32e9e1.gif\" width=\"198\" height=\"227\" alt=\"Aka 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>01H0<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C4H7ClN4O<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>162.58<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         4-amino-5-amine carbonyl hydrochloride,<\/p>\n<p>                         4-Aminoimidazole-5-carbonamide hydrochloride,<\/p>\n<p>                         Acre hydrochloride,<\/p>\n<p>                         4-Amino-5-imidazolecarboxamide hydrochloride,<\/p>\n<p>                         AICA,<\/p>\n<p>                         4-Amino-5-imidazolecarboxamidhydrochloride,<\/p>\n<p>                         4-Aminoimidazole-5-carboxamide hydrochoride<\/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>72-40-2<\/p>\n<p><b>MDL number:<\/b>MFCD00012704<\/p>\n<p><b>EINECS number:<\/b>200-778-3<\/p>\n<p><b>RTECS number:<\/b>NI3911000<\/p>\n<p><b>BRN number:<\/b>3701645<\/p>\n<p><b>PubChem number:<\/b>24891305<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: White needle-like crystals.  <\/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): 255-256 (decomposition)<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/p>\n<p>6. Boiling point (\u00baC, 5.2  kPa): 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. Explosion lower limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility: Soluble in water.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>Mutation in microorganismsTEST SYSTEM: 10 mmol\/L\/20H;<\/p>\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: 31.94<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 81.9<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 715.8<\/p>\n<p>4. Surface tension (dyne\/cm): 103.2<\/p>\n<p>5. Polarizability (10-24cm3): 12.66<\/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: 4<\/p>\n<p>3. Hydrogen bondNumber of receptors: 3<\/p>\n<p>4. Number of rotatable chemical bonds: 1<\/p>\n<p>5. Number of tautomers: 13<\/p>\n<p>6. Topological molecules  Polar surface area 97.8<\/p>\n<p>7. Number of heavy atoms: 10<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 126<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Number of determined atomic stereocenters: 0<\/p>\n<p>12. Number of uncertain atomic stereocenters: 0<\/p>\n<p>  13. Determine the number of stereocenters of chemical bonds: 0<\/p>\n<p>14. Uncertain number of stereocenters of chemical bonds: 0<\/p>\n<p>15. Number of covalent bond units: 2<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p><p> Store in a sealed, cool and dry place.  <\/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     1. Pharmaceutical intermediates.  Used in the production of nitridine and acarmine.  Biochemical research.  Nucleic acid synthesis.\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/246-trisdimethylaminomethylphenol-cas-90-72-2-dmp-30\/\">https:\/\/www.cyclohexylamine.net\/246-trisdimethylaminomethylphenol-cas-90-72-2-dmp-30\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45181\">https:\/\/www.newtopchem.com\/archives\/45181<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1598\">https:\/\/www.newtopchem.com\/archives\/1598<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/butyl-tin-triisooctoate-cas23850-94-4-butyltin-tris\/\">https:\/\/www.bdmaee.net\/butyl-tin-triisooctoate-cas23850-94-4-butyltin-tris\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/nt-cat-a-305-catalyst-cas1739-84-0-newtopchem\/\">https:\/\/www.bdmaee.net\/nt-cat-a-305-catalyst-cas1739-84-0-newtopchem\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Catalyst-A400-A400-polyurethane-catalyst-A400.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Catalyst-A400-A400-polyurethane-catalyst-A400.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/pc-cat-dmi-catalyst-nitro\/\">https:\/\/www.bdmaee.net\/pc-cat-dmi-catalyst-nitro\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-MP602-delayed-amine-catalyst-non-emission-amine-catalyst.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-MP602-delayed-amine-catalyst-non-emission-amine-catalyst.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/42989\">https:\/\/www.newtopchem.com\/archives\/42989<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/38910\">https:\/\/www.newtopchem.com\/archives\/38910<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 01H0 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48044,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15094],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48045"}],"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=48045"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48045\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48044"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48045"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48045"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48045"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}