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SZ9

Summary
Name:1-(2,5-dimethylfuran-3-yl)methanamine
Formula:C7 H11 N O
Formal charge:0
Formula weight:125.168 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(2,5-dimethylfuran-3-yl)methanamine
OpenEye OEToolkits1.7.2(2,5-dimethylfuran-3-yl)methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01o1c(cc(c1C)CN)C
InChIInChI1.03InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
InChIKeyInChI1.03AGQXLVABIKZJJG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1oc(C)c(CN)c1
SMILESCACTVS3.370Cc1oc(C)c(CN)c1
SMILES_CANONICALOpenEye OEToolkits1.7.2Cc1cc(c(o1)C)CN
SMILESOpenEye OEToolkits1.7.2Cc1cc(c(o1)C)CN

217705

PDB entries from 2024-03-27

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