<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356187</id>
  <title nil="true"/>
  <common-name>N,n'-bis(3-aminopropyl)hexatriacontane-1,36-diamine</common-name>
  <description>N,n'-bis(3-aminopropyl)hexatriacontane-1,36-diamine is a chemical compound with the formula C42H90N4. With an average molecular weight of 651.20 g/mol, N,n'-bis(3-aminopropyl)hexatriacontane-1,36-diamine is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>3085450</pubchem-id>
  <chemical-formula>C42H90N4</chemical-formula>
  <weight>651.2</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">2026-09-01T01:26:30Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:26:30Z</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(CCCCCCCCCCCCCCCCCCNCCCN)CCCCCCCCCCCCCCCCCNCCCN</moldb-smiles>
  <moldb-formula>C42H90N4</moldb-formula>
  <moldb-inchi>InChI=1S/C42H90N4/c43-37-35-41-45-39-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-46-42-36-38-44/h45-46H,1-44H2</moldb-inchi>
  <moldb-inchikey>OFFBTFONFHSIGA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">650.7165489</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>15.9</logp>
  <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>CHEM352080</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>N,n'-bis(3-aminopropyl)hexatriacontane-1,36-diamine</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306437</sync-id>
  <structure-inchikey>OFFBTFONFHSIGA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000001000000000000000000000000010000000000000000000000000000000000000000000000000000400000800000000000000000000000000000000010080001000000000000000000000000000000000000020000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000040000000008000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������.���-���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:00Z</structure-indexed-at>
</compound>
