PEA

?

Summary

Name:2-PHENYLETHYLAMINE
Formula:C8 H12 N
Formal charge:1
Molecular weight:122.188 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-phenylethanaminium
OpenEye OEToolkits1.5.0phenethylazanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c1ccccc1CC[NH3+]
SMILES_CANONICALCACTVS3.341[NH3+]CCc1ccccc1
SMILESCACTVS3.341[NH3+]CCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CC[NH3+]
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC[NH3+]
InChIInChI1.03InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKeyInChI1.03BHHGXPLMPWCGHP-UHFFFAOYSA-O
170172
PDB entries from 2020-10-21