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

5KN

Summary
Name:2,4-di(morpholin-4-yl)aniline
Formula:C14 H21 N3 O2
Formal charge:0
Formula weight:263.335 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4-di(morpholin-4-yl)aniline
OpenEye OEToolkits1.9.22,4-dimorpholin-4-ylaniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(N)c(cc(c1)N2CCOCC2)N3CCOCC3
InChIInChI1.03InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
InChIKeyInChI1.03VEMKXLKXBFHADY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(cc1N2CCOCC2)N3CCOCC3
SMILESCACTVS3.385Nc1ccc(cc1N2CCOCC2)N3CCOCC3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(c(cc1N2CCOCC2)N3CCOCC3)N
SMILESOpenEye OEToolkits1.9.2c1cc(c(cc1N2CCOCC2)N3CCOCC3)N

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon