Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

D22

Summary
Name:N-octyloctan-1-amine
Synonyms:Dioctylamine
Formula:C16 H35 N
Formal charge:0
Formula weight:241.456 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-octyloctan-1-amine
OpenEye OEToolkits1.5.0N-octyloctan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N(CCCCCCCC)CCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCNCCCCCCCC
SMILESCACTVS3.341CCCCCCCCNCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCNCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCNCCCCCCCC
InChIInChI1.03InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
InChIKeyInChI1.03LAWOZCWGWDVVSG-UHFFFAOYSA-N

220113

PDB entries from 2024-05-22

PDB statisticsPDBj update infoContact PDBjnumon