C2B

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Summary

Name:1-(4-CHLOROPHENYL)METHANAMINE
Formula:C7 H8 Cl N
Formal charge:0
Molecular weight:141.598 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(4-chlorophenyl)methanamine
OpenEye OEToolkits1.5.0(4-chlorophenyl)methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)CN
SMILES_CANONICALCACTVS3.341NCc1ccc(Cl)cc1
SMILESCACTVS3.341NCc1ccc(Cl)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1CN)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CN)Cl
InChIInChI1.03InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKeyInChI1.03YMVFJGSXZNNUDW-UHFFFAOYSA-N
167132
PDB entries from 2020-07-29