<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365199</id>
  <title nil="true"/>
  <common-name>Tert-butyl n-[(1r,2s)-2-cyanocyclopropyl]carbamate</common-name>
  <description>Tert-butyl n-[(1r,2s)-2-cyanocyclopropyl]carbamate is a chemical compound with the formula C9H14N2O2. It has an average molecular weight of 182.22 g/mol.</description>
  <cas>1903427-21-3</cas>
  <pubchem-id>105533146</pubchem-id>
  <chemical-formula>C9H14N2O2</chemical-formula>
  <weight>182.22</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">2026-09-01T15:41:15Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:41:15Z</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>CC(C)(C)OC(=O)NC1CC1C#N</moldb-smiles>
  <moldb-formula>C9H14N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-7-4-6(7)5-10/h6-7H,4H2,1-3H3,(H,11,12)/t6-,7-/m1/s1</moldb-inchi>
  <moldb-inchikey>QFUOUEURKHWBNS-RNFRBKRXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">182.1055277</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM361092</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>Tert-butyl n-[(1r,2s)-2-cyanocyclopropyl]carbamate</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>CED0315156</sync-id>
  <structure-inchikey>QFUOUEURKHWBNS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000000010000000000000000000000000000000000000010800000000000000000008000000000000000000000000000000000000000000020000020000100000000000000000010000200010000000000000000000000000000020000000000000000000000100001800040000000000000000000000080000000000000000000000000000000000800400000000000000000008000100000000000000000000000000000000000000000020000000000000000000000000000000000000000000002000080200000000000000000180000000000000400000000000002000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`������� ������`�������`�������(�������(�������(�������h��������`�������`�������`�������(�������(�������������������� ��(��� ����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:21Z</structure-indexed-at>
</compound>
