75044 <common-name>Di-tert-butyl Iminodicarboxylate</common-name> <description>Di-tert-butyl Iminodicarboxylate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C10H19N1O4 and an average molecular weight of 217.26 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>51779-32-9</cas> <pubchem-id>279800</pubchem-id> <chemical-formula>C10H19N1O4</chemical-formula> <weight>217.26</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">2026-04-04T02:45:18Z</created-at> <updated-at type="dateTime">2026-08-18T02:50:48Z</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)NC(=O)OC(C)(C)C</moldb-smiles> <moldb-formula>C10H19N1O4</moldb-formula> <moldb-inchi>InChI=1S/C10H19NO4/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6/h1-6H3,(H,11,12,13)</moldb-inchi> <moldb-inchikey>XCAQIUOFDMREBA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">217.265</moldb-average-mass> <moldb-mono-mass type="decimal">217.131408</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>246393</chemspider-id> <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>CHEM070937</chemdb-id> <dsstox-id>DTXSID70299500</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00032343</susdat-id> <iupac>tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]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">8</paper-count> <sync-id>CED0037071</sync-id> <structure-inchikey>XCAQIUOFDMREBA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000010000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000020000000000100000000000000000000000000010000000000000000000000000000000000000000000000000000000000800040000000000000090000000080000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000002000000000000000000000000100000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������(�������(�������(�������h��������(�������(�������(������� ������`�������`�������`�������������������� ��(��� �� � (�� ������ ����B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:23Z</structure-indexed-at> </compound>