BPW

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Summary

Name:3-(4-chlorophenyl)propan-1-amine
Formula:C9 H12 Cl N
Formal charge:0
Molecular weight:169.651 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-(4-chlorophenyl)propan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
InChIKeyInChI1.03RVLNDSYSQLMPRC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCCCc1ccc(Cl)cc1
SMILESCACTVS3.385NCCCc1ccc(Cl)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1CCCN)Cl
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1CCCN)Cl
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