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A1ISO

Summary
Name:n-heptylamine
Synonyms:heptan-1-amine
Formula:C7 H17 N
Formal charge:0
Formula weight:115.217 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7heptan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
InChIKeyInChI1.06WJYIASZWHGOTOU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCN
SMILESCACTVS3.385CCCCCCCN
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCN
SMILESOpenEye OEToolkits2.0.7CCCCCCCN

247947

PDB entries from 2026-01-21

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