<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">361834</id>
  <title nil="true"/>
  <common-name>Prop-2-enyl n-(3-aminopropyl)carbamate;hydrochloride</common-name>
  <description>Prop-2-enyl n-(3-aminopropyl)carbamate;hydrochloride is a compound with the formula C7H15ClN2O2. It has an average molecular weight of 194.66 g/mol.</description>
  <cas>1049721-72-3</cas>
  <pubchem-id>16212823</pubchem-id>
  <chemical-formula>C7H15ClN2O2</chemical-formula>
  <weight>194.66</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-09-01T10:51:15Z</created-at>
  <updated-at type="dateTime">2026-09-01T10:51:15Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C=CCOC(=O)NCCCN.Cl</moldb-smiles>
  <moldb-formula>C7H15ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H14N2O2.ClH/c1-2-6-11-7(10)9-5-3-4-8;/h2H,1,3-6,8H2,(H,9,10);1H</moldb-inchi>
  <moldb-inchikey>KNZVKXKPJJFXRK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">194.0822054</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM357727</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Prop-2-enyl n-(3-aminopropyl)carbamate;hydrochloride</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0311942</sync-id>
  <structure-inchikey>KNZVKXKPJJFXRK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000010000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020001000000300000000000000000000000000010000000000000000000000000000001008000000000400000000000000000000800000000000000000000080001000000000000000000000000000800000000000000000000200000000000000000000000000000000000004000020000000000000000000000000040000000000000000000000000002000000000040000000008000000008000000010400000000100000200000000008000000</structure-fingerprint>
  <structure-pattern-fingerprint>60000000000000020003000000000040000100000400000000440000040008000010000010000000000042000000004000000004430002000008411000000000000000000000042000000000000400000020000042000000900083000000000020000000000502000002000001001002000111802000010000200440090044000000800000008080000100440064400000000040800000000008043000010000000000008040004000002c00000000008000000000000000000000000000400000000800000000000000000000000004000000000000800000000000c0000000000020004000000000000000010004000000000008050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������
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�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:03Z</structure-indexed-at>
</compound>
