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58I

Summary
Name:4-azaniumylbutylazanium
Synonyms:Butane-1,4-diyldiammonium
Putrescinium
Formula:C4 H14 N2
Formal charge:2
Formula weight:90.167 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-azaniumylbutylazanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2
InChIKeyInChI1.03KIDHWZJUCRJVML-UHFFFAOYSA-P
SMILES_CANONICALCACTVS3.385[NH3+]CCCC[NH3+]
SMILESCACTVS3.385[NH3+]CCCC[NH3+]
SMILES_CANONICALOpenEye OEToolkits2.0.7C(CC[NH3+])C[NH3+]
SMILESOpenEye OEToolkits2.0.7C(CC[NH3+])C[NH3+]

218853

PDB entries from 2024-04-24

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