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I2J

Summary
Name:2-(2-aminoethoxy)ethan-1-ol
Formula:C4 H11 N O2
Formal charge:0
Formula weight:105.136 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(2-aminoethoxy)ethan-1-ol
OpenEye OEToolkits2.0.72-(2-azanylethoxy)ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NCCOCCO
InChIInChI1.03InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
InChIKeyInChI1.03GIAFURWZWWWBQT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCCOCCO
SMILESCACTVS3.385NCCOCCO
SMILES_CANONICALOpenEye OEToolkits2.0.7C(COCCO)N
SMILESOpenEye OEToolkits2.0.7C(COCCO)N

222415

PDB entries from 2024-07-10

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