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DRE

Summary
Name:N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE
Synonyms:BIS(HEXAMETHYLENE)TRIAMINE
Formula:C12 H29 N3
Formal charge:0
Formula weight:215.379 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(6-aminohexyl)hexane-1,6-diamine
OpenEye OEToolkits1.5.0N-(6-aminohexyl)hexane-1,6-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04NCCCCCCNCCCCCCN
SMILES_CANONICALCACTVS3.341NCCCCCCNCCCCCCN
SMILESCACTVS3.341NCCCCCCNCCCCCCN
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CCCNCCCCCCN)CCN
SMILESOpenEye OEToolkits1.5.0C(CCCNCCCCCCN)CCN
InChIInChI1.03InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
InChIKeyInChI1.03MRNZSTMRDWRNNR-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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