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

51S

Summary
Name:2,4-dimethylaniline
Formula:C8 H11 N
Formal charge:0
Formula weight:121.18 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4-dimethylaniline
OpenEye OEToolkits1.9.22,4-dimethylaniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(C)c(cc1)N)C
InChIInChI1.03InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
InChIKeyInChI1.03CZZZABOKJQXEBO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(N)c(C)c1
SMILESCACTVS3.385Cc1ccc(N)c(C)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1ccc(c(c1)C)N
SMILESOpenEye OEToolkits1.9.2Cc1ccc(c(c1)C)N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon