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9AK

Summary
Name:N1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine
Formula:C6 H16 N2 O
Formal charge:0
Formula weight:132.204 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-[(2-azanyl-2-methyl-propyl)amino]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C6H16N2O/c1-6(2,7)5-8-3-4-9/h8-9H,3-5,7H2,1-2H3
InChIKeyInChI1.03OEDKOOAJXTXCQZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(N)CNCCO
SMILESCACTVS3.385CC(C)(N)CNCCO
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)(CNCCO)N
SMILESOpenEye OEToolkits2.0.6CC(C)(CNCCO)N

226707

PDB entries from 2024-10-30

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