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DIA

Summary
Name:OCTANE 1,8-DIAMINE
Synonyms:1,8-DIAMINOOCTANE
OCTAMETHYLENEDIAMINE; 1,8-OCTANEDIAMINE
Formula:C8 H20 N2
Formal charge:0
Formula weight:144.258 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04octane-1,8-diamine
OpenEye OEToolkits1.5.0octane-1,8-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04NCCCCCCCCN
SMILES_CANONICALCACTVS3.341NCCCCCCCCN
SMILESCACTVS3.341NCCCCCCCCN
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CCCCN)CCCN
SMILESOpenEye OEToolkits1.5.0C(CCCCN)CCCN
InChIInChI1.03InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKeyInChI1.03PWGJDPKCLMLPJW-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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